USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN :FLIP amide:sc= 0.604 F(o=-12,f=-9.7) USER MOD Set 1.2: A 98 HIS : no HE2:sc= -10.3! C(o=-9.7!,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -1.17 (180deg=-2.19!) USER MOD Single : A 18 SER OG : rot 32:sc= 0.198! USER MOD Single : A 27 ASN :FLIP amide:sc= -0.217 F(o=-2.3!,f=-0.22) USER MOD Single : A 33 CYS SG : rot -50:sc= -1.75 USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= -5.57! (180deg=-7.45!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 70:sc= -0.181 USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= -1.49! (180deg=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.0432 (180deg=-0.428) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.534 USER MOD Single : A 56 THR OG1 : rot 111:sc= -0.0621 USER MOD Single : A 59 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.53) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -0.193 (180deg=-1.07) USER MOD Single : A 69 MET CE :methyl 158:sc= -0.139 (180deg=-0.854) USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= -0.547 (180deg=-2.08!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 91 MET CE :methyl -156:sc= -0.418 (180deg=-1.53) USER MOD Single : A 92 SER OG : rot 170:sc= -0.284 USER MOD Single : A 95 TYR OH : rot 104:sc= 1.07 USER MOD Single : A 96 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.6) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 51:sc= 0.812 USER MOD Single : A 108 THR OG1 : rot -151:sc= -1.47 USER MOD Single : A 109 TYR OH : rot 0:sc= -1.77 USER MOD Single : A 110 SER OG : rot 101:sc= 0.968 USER MOD Single : A 113 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ARG A 14 12.681 8.285 -12.181 1.00 1.23 N ATOM 225 CA ARG A 14 13.765 7.773 -11.359 1.00 74.11 C ATOM 226 C ARG A 14 15.102 7.931 -12.086 1.00 31.25 C ATOM 227 O ARG A 14 16.159 7.920 -11.457 1.00 30.23 O ATOM 228 CB ARG A 14 13.548 6.297 -11.019 1.00 73.04 C ATOM 229 CG ARG A 14 14.155 5.953 -9.658 1.00 34.13 C ATOM 230 CD ARG A 14 13.142 6.178 -8.533 1.00 53.33 C ATOM 231 NE ARG A 14 12.201 5.038 -8.464 1.00 15.31 N ATOM 232 CZ ARG A 14 12.495 3.847 -7.902 1.00 22.30 C ATOM 233 NH1 ARG A 14 13.710 3.629 -7.355 1.00 30.21 N ATOM 234 NH2 ARG A 14 11.578 2.898 -7.896 1.00 33.33 N ATOM 0 HA ARG A 14 13.781 8.349 -10.434 1.00 74.11 H new ATOM 0 HB2 ARG A 14 12.481 6.075 -11.012 1.00 73.04 H new ATOM 0 HB3 ARG A 14 13.998 5.672 -11.790 1.00 73.04 H new ATOM 0 HG2 ARG A 14 14.483 4.914 -9.654 1.00 34.13 H new ATOM 0 HG3 ARG A 14 15.039 6.567 -9.484 1.00 34.13 H new ATOM 0 HD2 ARG A 14 13.662 6.289 -7.581 1.00 53.33 H new ATOM 0 HD3 ARG A 14 12.593 7.103 -8.707 1.00 53.33 H new ATOM 0 HE ARG A 14 11.272 5.160 -8.867 1.00 15.31 H new ATOM 0 HH11 ARG A 14 14.414 4.367 -7.365 1.00 30.21 H new ATOM 0 HH12 ARG A 14 13.924 2.726 -6.932 1.00 30.21 H new ATOM 0 HH21 ARG A 14 10.663 3.070 -8.312 1.00 33.33 H new ATOM 0 HH22 ARG A 14 11.784 1.992 -7.475 1.00 33.33 H new ATOM 247 N LYS A 15 15.012 8.074 -13.400 1.00 31.14 N ATOM 248 CA LYS A 15 16.202 8.234 -14.218 1.00 73.12 C ATOM 249 C LYS A 15 16.619 9.706 -14.222 1.00 30.12 C ATOM 250 O LYS A 15 17.805 10.019 -14.133 1.00 62.30 O ATOM 251 CB LYS A 15 15.972 7.656 -15.616 1.00 53.53 C ATOM 252 CG LYS A 15 17.014 8.183 -16.605 1.00 60.41 C ATOM 253 CD LYS A 15 17.324 7.140 -17.681 1.00 43.12 C ATOM 254 CE LYS A 15 17.806 5.831 -17.053 1.00 63.22 C ATOM 255 NZ LYS A 15 18.561 6.100 -15.809 1.00 31.22 N ATOM 0 H LYS A 15 14.134 8.082 -13.918 1.00 31.14 H new ATOM 0 HA LYS A 15 17.033 7.668 -13.797 1.00 73.12 H new ATOM 0 HB2 LYS A 15 16.021 6.568 -15.576 1.00 53.53 H new ATOM 0 HB3 LYS A 15 14.972 7.918 -15.962 1.00 53.53 H new ATOM 0 HG2 LYS A 15 16.647 9.096 -17.073 1.00 60.41 H new ATOM 0 HG3 LYS A 15 17.928 8.443 -16.072 1.00 60.41 H new ATOM 0 HD2 LYS A 15 16.432 6.954 -18.279 1.00 43.12 H new ATOM 0 HD3 LYS A 15 18.087 7.526 -18.357 1.00 43.12 H new ATOM 0 HE2 LYS A 15 16.952 5.189 -16.836 1.00 63.22 H new ATOM 0 HE3 LYS A 15 18.438 5.293 -17.760 1.00 63.22 H new ATOM 0 HZ1 LYS A 15 19.169 5.286 -15.589 1.00 31.22 H new ATOM 0 HZ2 LYS A 15 19.150 6.948 -15.937 1.00 31.22 H new ATOM 0 HZ3 LYS A 15 17.895 6.256 -15.026 1.00 31.22 H new ATOM 268 N ALA A 16 15.621 10.571 -14.325 1.00 75.42 N ATOM 269 CA ALA A 16 15.869 12.002 -14.342 1.00 0.25 C ATOM 270 C ALA A 16 16.586 12.406 -13.052 1.00 25.42 C ATOM 271 O ALA A 16 17.582 13.127 -13.091 1.00 22.34 O ATOM 272 CB ALA A 16 14.547 12.748 -14.531 1.00 35.12 C ATOM 0 H ALA A 16 14.638 10.308 -14.398 1.00 75.42 H new ATOM 0 HA ALA A 16 16.516 12.269 -15.177 1.00 0.25 H new ATOM 0 HB1 ALA A 16 14.734 13.822 -14.544 1.00 35.12 H new ATOM 0 HB2 ALA A 16 14.091 12.448 -15.475 1.00 35.12 H new ATOM 0 HB3 ALA A 16 13.872 12.507 -13.710 1.00 35.12 H new ATOM 278 N GLU A 17 16.053 11.923 -11.940 1.00 34.35 N ATOM 279 CA GLU A 17 16.629 12.224 -10.640 1.00 64.14 C ATOM 280 C GLU A 17 18.038 11.635 -10.536 1.00 12.44 C ATOM 281 O GLU A 17 18.912 12.218 -9.895 1.00 73.31 O ATOM 282 CB GLU A 17 15.735 11.710 -9.511 1.00 31.43 C ATOM 283 CG GLU A 17 15.985 10.224 -9.246 1.00 62.55 C ATOM 284 CD GLU A 17 14.758 9.565 -8.612 1.00 4.43 C ATOM 285 OE1 GLU A 17 14.839 8.416 -8.152 1.00 43.53 O ATOM 286 OE2 GLU A 17 13.692 10.292 -8.605 1.00 24.25 O ATOM 0 H GLU A 17 15.227 11.325 -11.912 1.00 34.35 H new ATOM 0 HA GLU A 17 16.700 13.307 -10.537 1.00 64.14 H new ATOM 0 HB2 GLU A 17 15.925 12.282 -8.603 1.00 31.43 H new ATOM 0 HB3 GLU A 17 14.688 11.865 -9.772 1.00 31.43 H new ATOM 0 HG2 GLU A 17 16.230 9.721 -10.181 1.00 62.55 H new ATOM 0 HG3 GLU A 17 16.845 10.108 -8.587 1.00 62.55 H new ATOM 294 N SER A 18 18.214 10.488 -11.174 1.00 43.24 N ATOM 295 CA SER A 18 19.502 9.814 -11.161 1.00 53.51 C ATOM 296 C SER A 18 20.400 10.380 -12.263 1.00 75.25 C ATOM 297 O SER A 18 21.597 10.099 -12.299 1.00 74.01 O ATOM 298 CB SER A 18 19.334 8.304 -11.335 1.00 65.34 C ATOM 299 OG SER A 18 20.309 7.757 -12.220 1.00 0.21 O ATOM 0 H SER A 18 17.487 10.008 -11.704 1.00 43.24 H new ATOM 0 HA SER A 18 19.971 9.991 -10.193 1.00 53.51 H new ATOM 0 HB2 SER A 18 19.412 7.816 -10.363 1.00 65.34 H new ATOM 0 HB3 SER A 18 18.336 8.092 -11.719 1.00 65.34 H new ATOM 0 HG SER A 18 21.141 8.271 -12.148 1.00 0.21 H new ATOM 305 N GLU A 19 19.787 11.166 -13.136 1.00 51.22 N ATOM 306 CA GLU A 19 20.516 11.773 -14.237 1.00 12.52 C ATOM 307 C GLU A 19 21.280 13.006 -13.751 1.00 4.51 C ATOM 308 O GLU A 19 22.384 13.281 -14.219 1.00 25.34 O ATOM 309 CB GLU A 19 19.573 12.131 -15.388 1.00 2.25 C ATOM 310 CG GLU A 19 19.312 10.916 -16.280 1.00 53.31 C ATOM 311 CD GLU A 19 20.305 10.867 -17.443 1.00 74.51 C ATOM 312 OE1 GLU A 19 20.112 11.560 -18.453 1.00 33.20 O ATOM 313 OE2 GLU A 19 21.307 10.073 -17.271 1.00 0.13 O ATOM 0 H GLU A 19 18.794 11.397 -13.103 1.00 51.22 H new ATOM 0 HA GLU A 19 21.237 11.048 -14.614 1.00 12.52 H new ATOM 0 HB2 GLU A 19 18.630 12.502 -14.988 1.00 2.25 H new ATOM 0 HB3 GLU A 19 20.007 12.936 -15.981 1.00 2.25 H new ATOM 0 HG2 GLU A 19 19.392 10.003 -15.690 1.00 53.31 H new ATOM 0 HG3 GLU A 19 18.294 10.957 -16.668 1.00 53.31 H new ATOM 321 N ARG A 20 20.663 13.717 -12.819 1.00 32.14 N ATOM 322 CA ARG A 20 21.271 14.914 -12.264 1.00 44.33 C ATOM 323 C ARG A 20 22.348 14.539 -11.244 1.00 33.23 C ATOM 324 O ARG A 20 23.429 15.125 -11.233 1.00 21.22 O ATOM 325 CB ARG A 20 20.225 15.802 -11.588 1.00 75.30 C ATOM 326 CG ARG A 20 19.924 15.312 -10.170 1.00 21.10 C ATOM 327 CD ARG A 20 18.839 16.167 -9.513 1.00 55.01 C ATOM 328 NE ARG A 20 17.766 16.460 -10.489 1.00 54.53 N ATOM 329 CZ ARG A 20 17.773 17.519 -11.327 1.00 65.12 C ATOM 330 NH1 ARG A 20 18.800 18.395 -11.315 1.00 5.13 N ATOM 331 NH2 ARG A 20 16.762 17.684 -12.159 1.00 11.41 N ATOM 0 H ARG A 20 19.747 13.487 -12.434 1.00 32.14 H new ATOM 0 HA ARG A 20 21.722 15.468 -13.087 1.00 44.33 H new ATOM 0 HB2 ARG A 20 20.584 16.831 -11.553 1.00 75.30 H new ATOM 0 HB3 ARG A 20 19.309 15.804 -12.178 1.00 75.30 H new ATOM 0 HG2 ARG A 20 19.602 14.271 -10.202 1.00 21.10 H new ATOM 0 HG3 ARG A 20 20.833 15.346 -9.569 1.00 21.10 H new ATOM 0 HD2 ARG A 20 18.425 15.644 -8.651 1.00 55.01 H new ATOM 0 HD3 ARG A 20 19.271 17.097 -9.145 1.00 55.01 H new ATOM 0 HE ARG A 20 16.971 15.822 -10.531 1.00 54.53 H new ATOM 0 HH11 ARG A 20 19.578 18.260 -10.670 1.00 5.13 H new ATOM 0 HH12 ARG A 20 18.798 19.192 -11.951 1.00 5.13 H new ATOM 0 HH21 ARG A 20 15.990 17.017 -12.163 1.00 11.41 H new ATOM 0 HH22 ARG A 20 16.752 18.479 -12.798 1.00 11.41 H new ATOM 344 N ILE A 21 22.014 13.564 -10.411 1.00 30.01 N ATOM 345 CA ILE A 21 22.938 13.103 -9.389 1.00 5.52 C ATOM 346 C ILE A 21 24.096 12.355 -10.054 1.00 14.22 C ATOM 347 O ILE A 21 25.148 12.166 -9.446 1.00 20.01 O ATOM 348 CB ILE A 21 22.201 12.280 -8.331 1.00 10.21 C ATOM 349 CG1 ILE A 21 21.500 13.189 -7.319 1.00 52.34 C ATOM 350 CG2 ILE A 21 23.147 11.288 -7.651 1.00 14.23 C ATOM 351 CD1 ILE A 21 20.151 12.603 -6.899 1.00 15.23 C ATOM 0 H ILE A 21 21.116 13.081 -10.423 1.00 30.01 H new ATOM 0 HA ILE A 21 23.369 13.950 -8.856 1.00 5.52 H new ATOM 0 HB ILE A 21 21.427 11.697 -8.830 1.00 10.21 H new ATOM 0 HG12 ILE A 21 22.133 13.319 -6.441 1.00 52.34 H new ATOM 0 HG13 ILE A 21 21.352 14.177 -7.754 1.00 52.34 H new ATOM 0 HG21 ILE A 21 22.598 10.716 -6.903 1.00 14.23 H new ATOM 0 HG22 ILE A 21 23.560 10.609 -8.397 1.00 14.23 H new ATOM 0 HG23 ILE A 21 23.958 11.832 -7.168 1.00 14.23 H new ATOM 0 HD11 ILE A 21 19.674 13.268 -6.180 1.00 15.23 H new ATOM 0 HD12 ILE A 21 19.512 12.497 -7.775 1.00 15.23 H new ATOM 0 HD13 ILE A 21 20.305 11.625 -6.442 1.00 15.23 H new ATOM 363 N ALA A 22 23.862 11.950 -11.293 1.00 75.13 N ATOM 364 CA ALA A 22 24.871 11.227 -12.047 1.00 62.54 C ATOM 365 C ALA A 22 25.810 12.227 -12.725 1.00 11.13 C ATOM 366 O ALA A 22 27.028 12.056 -12.700 1.00 73.24 O ATOM 367 CB ALA A 22 24.189 10.295 -13.051 1.00 40.24 C ATOM 0 H ALA A 22 22.988 12.109 -11.794 1.00 75.13 H new ATOM 0 HA ALA A 22 25.474 10.607 -11.384 1.00 62.54 H new ATOM 0 HB1 ALA A 22 24.947 9.753 -13.617 1.00 40.24 H new ATOM 0 HB2 ALA A 22 23.557 9.585 -12.517 1.00 40.24 H new ATOM 0 HB3 ALA A 22 23.577 10.883 -13.735 1.00 40.24 H new ATOM 373 N ASP A 23 25.208 13.250 -13.313 1.00 75.13 N ATOM 374 CA ASP A 23 25.974 14.278 -13.996 1.00 64.01 C ATOM 375 C ASP A 23 26.782 15.073 -12.968 1.00 54.42 C ATOM 376 O ASP A 23 27.947 15.390 -13.200 1.00 3.34 O ATOM 377 CB ASP A 23 25.054 15.254 -14.732 1.00 63.33 C ATOM 378 CG ASP A 23 25.731 16.078 -15.829 1.00 50.13 C ATOM 379 OD1 ASP A 23 25.864 17.306 -15.715 1.00 61.34 O ATOM 380 OD2 ASP A 23 26.136 15.400 -16.849 1.00 43.12 O ATOM 0 H ASP A 23 24.198 13.389 -13.330 1.00 75.13 H new ATOM 0 HA ASP A 23 26.629 13.788 -14.716 1.00 64.01 H new ATOM 0 HB2 ASP A 23 24.233 14.691 -15.176 1.00 63.33 H new ATOM 0 HB3 ASP A 23 24.616 15.937 -14.004 1.00 63.33 H new ATOM 386 N ARG A 24 26.129 15.373 -11.855 1.00 3.14 N ATOM 387 CA ARG A 24 26.772 16.125 -10.790 1.00 52.54 C ATOM 388 C ARG A 24 27.815 15.259 -10.083 1.00 23.31 C ATOM 389 O ARG A 24 28.980 15.641 -9.982 1.00 41.15 O ATOM 390 CB ARG A 24 25.747 16.615 -9.766 1.00 15.51 C ATOM 391 CG ARG A 24 26.140 17.985 -9.208 1.00 70.14 C ATOM 392 CD ARG A 24 27.649 18.068 -8.973 1.00 25.01 C ATOM 393 NE ARG A 24 27.954 19.160 -8.022 1.00 10.22 N ATOM 394 CZ ARG A 24 29.182 19.694 -7.850 1.00 61.11 C ATOM 395 NH1 ARG A 24 30.233 19.239 -8.566 1.00 12.53 N ATOM 396 NH2 ARG A 24 29.340 20.667 -6.972 1.00 61.20 N ATOM 0 H ARG A 24 25.162 15.109 -11.667 1.00 3.14 H new ATOM 0 HA ARG A 24 27.259 16.989 -11.242 1.00 52.54 H new ATOM 0 HB2 ARG A 24 24.763 16.677 -10.232 1.00 15.51 H new ATOM 0 HB3 ARG A 24 25.669 15.895 -8.951 1.00 15.51 H new ATOM 0 HG2 ARG A 24 25.833 18.767 -9.903 1.00 70.14 H new ATOM 0 HG3 ARG A 24 25.612 18.166 -8.272 1.00 70.14 H new ATOM 0 HD2 ARG A 24 28.017 17.120 -8.581 1.00 25.01 H new ATOM 0 HD3 ARG A 24 28.163 18.243 -9.918 1.00 25.01 H new ATOM 0 HE ARG A 24 27.188 19.533 -7.461 1.00 10.22 H new ATOM 0 HH11 ARG A 24 30.102 18.487 -9.242 1.00 12.53 H new ATOM 0 HH12 ARG A 24 31.158 19.648 -8.430 1.00 12.53 H new ATOM 0 HH21 ARG A 24 28.541 21.005 -6.436 1.00 61.20 H new ATOM 0 HH22 ARG A 24 30.261 21.081 -6.830 1.00 61.20 H new ATOM 409 N PHE A 25 27.360 14.108 -9.611 1.00 21.44 N ATOM 410 CA PHE A 25 28.240 13.183 -8.915 1.00 52.54 C ATOM 411 C PHE A 25 28.038 11.752 -9.416 1.00 72.04 C ATOM 412 O PHE A 25 27.303 10.975 -8.808 1.00 41.41 O ATOM 413 CB PHE A 25 27.874 13.248 -7.431 1.00 54.13 C ATOM 414 CG PHE A 25 27.409 14.629 -6.965 1.00 3.34 C ATOM 415 CD1 PHE A 25 28.325 15.591 -6.670 1.00 32.35 C ATOM 416 CD2 PHE A 25 26.081 14.895 -6.845 1.00 10.53 C ATOM 417 CE1 PHE A 25 27.894 16.872 -6.236 1.00 51.54 C ATOM 418 CE2 PHE A 25 25.650 16.177 -6.412 1.00 10.35 C ATOM 419 CZ PHE A 25 26.566 17.139 -6.116 1.00 74.35 C ATOM 0 H PHE A 25 26.393 13.794 -9.697 1.00 21.44 H new ATOM 0 HA PHE A 25 29.281 13.457 -9.090 1.00 52.54 H new ATOM 0 HB2 PHE A 25 27.085 12.523 -7.230 1.00 54.13 H new ATOM 0 HB3 PHE A 25 28.740 12.949 -6.840 1.00 54.13 H new ATOM 0 HD1 PHE A 25 29.380 15.380 -6.766 1.00 32.35 H new ATOM 0 HD2 PHE A 25 25.354 14.131 -7.079 1.00 10.53 H new ATOM 0 HE1 PHE A 25 28.621 17.635 -6.001 1.00 51.54 H new ATOM 0 HE2 PHE A 25 24.595 16.389 -6.318 1.00 10.35 H new ATOM 0 HZ PHE A 25 26.238 18.114 -5.786 1.00 74.35 H new ATOM 429 N PRO A 26 28.721 11.438 -10.550 1.00 15.10 N ATOM 430 CA PRO A 26 28.623 10.114 -11.140 1.00 22.22 C ATOM 431 C PRO A 26 29.427 9.093 -10.332 1.00 1.24 C ATOM 432 O PRO A 26 29.467 7.914 -10.678 1.00 75.34 O ATOM 433 CB PRO A 26 29.132 10.278 -12.563 1.00 10.44 C ATOM 434 CG PRO A 26 29.926 11.574 -12.574 1.00 4.31 C ATOM 435 CD PRO A 26 29.600 12.332 -11.297 1.00 51.35 C ATOM 0 HA PRO A 26 27.604 9.727 -11.138 1.00 22.22 H new ATOM 0 HB2 PRO A 26 29.758 9.434 -12.854 1.00 10.44 H new ATOM 0 HB3 PRO A 26 28.305 10.321 -13.271 1.00 10.44 H new ATOM 0 HG2 PRO A 26 30.994 11.366 -12.632 1.00 4.31 H new ATOM 0 HG3 PRO A 26 29.669 12.172 -13.449 1.00 4.31 H new ATOM 0 HD2 PRO A 26 30.503 12.563 -10.732 1.00 51.35 H new ATOM 0 HD3 PRO A 26 29.109 13.280 -11.514 1.00 51.35 H new ATOM 443 N ASN A 27 30.048 9.584 -9.269 1.00 41.23 N ATOM 444 CA ASN A 27 30.849 8.730 -8.409 1.00 34.41 C ATOM 445 C ASN A 27 30.009 8.294 -7.206 1.00 71.25 C ATOM 446 O ASN A 27 30.452 7.479 -6.398 1.00 13.51 O ATOM 447 CB ASN A 27 32.077 9.474 -7.883 1.00 23.05 C ATOM 448 CG ASN A 27 33.122 9.657 -8.985 1.00 71.54 C ATOM 449 OD1 ASN A 27 32.637 10.180 -10.108 1.00 44.34 O flip ATOM 450 ND2 ASN A 27 34.290 9.343 -8.827 1.00 64.41 N flip ATOM 0 H ASN A 27 30.012 10.563 -8.984 1.00 41.23 H new ATOM 0 HA ASN A 27 31.173 7.870 -8.995 1.00 34.41 H new ATOM 0 HB2 ASN A 27 31.778 10.448 -7.495 1.00 23.05 H new ATOM 0 HB3 ASN A 27 32.513 8.920 -7.052 1.00 23.05 H new ATOM 0 HD21 ASN A 27 34.596 8.946 -7.938 1.00 64.41 H new ATOM 0 HD22 ASN A 27 34.961 9.477 -9.583 1.00 64.41 H new ATOM 457 N ARG A 28 28.812 8.855 -7.127 1.00 14.44 N ATOM 458 CA ARG A 28 27.906 8.535 -6.037 1.00 12.15 C ATOM 459 C ARG A 28 27.034 7.333 -6.407 1.00 11.54 C ATOM 460 O ARG A 28 27.185 6.761 -7.485 1.00 12.21 O ATOM 461 CB ARG A 28 27.005 9.726 -5.701 1.00 25.44 C ATOM 462 CG ARG A 28 27.804 10.844 -5.029 1.00 10.53 C ATOM 463 CD ARG A 28 28.590 10.313 -3.829 1.00 21.54 C ATOM 464 NE ARG A 28 29.994 10.054 -4.218 1.00 5.43 N ATOM 465 CZ ARG A 28 30.891 11.023 -4.504 1.00 32.52 C ATOM 466 NH1 ARG A 28 30.536 12.324 -4.447 1.00 35.34 N ATOM 467 NH2 ARG A 28 32.120 10.678 -4.840 1.00 73.24 N ATOM 0 H ARG A 28 28.448 9.529 -7.800 1.00 14.44 H new ATOM 0 HA ARG A 28 28.511 8.294 -5.163 1.00 12.15 H new ATOM 0 HB2 ARG A 28 26.540 10.103 -6.612 1.00 25.44 H new ATOM 0 HB3 ARG A 28 26.199 9.403 -5.042 1.00 25.44 H new ATOM 0 HG2 ARG A 28 28.490 11.289 -5.750 1.00 10.53 H new ATOM 0 HG3 ARG A 28 27.127 11.634 -4.704 1.00 10.53 H new ATOM 0 HD2 ARG A 28 28.557 11.036 -3.014 1.00 21.54 H new ATOM 0 HD3 ARG A 28 28.131 9.396 -3.460 1.00 21.54 H new ATOM 0 HE ARG A 28 30.304 9.084 -4.274 1.00 5.43 H new ATOM 0 HH11 ARG A 28 29.584 12.582 -4.186 1.00 35.34 H new ATOM 0 HH12 ARG A 28 31.220 13.049 -4.664 1.00 35.34 H new ATOM 0 HH21 ARG A 28 32.380 9.693 -4.881 1.00 73.24 H new ATOM 0 HH22 ARG A 28 32.810 11.397 -5.059 1.00 73.24 H new ATOM 480 N ILE A 29 26.141 6.987 -5.491 1.00 72.35 N ATOM 481 CA ILE A 29 25.245 5.864 -5.708 1.00 73.41 C ATOM 482 C ILE A 29 23.908 6.143 -5.019 1.00 13.03 C ATOM 483 O ILE A 29 23.732 5.823 -3.844 1.00 42.30 O ATOM 484 CB ILE A 29 25.905 4.557 -5.263 1.00 2.45 C ATOM 485 CG1 ILE A 29 27.393 4.545 -5.620 1.00 52.44 C ATOM 486 CG2 ILE A 29 25.168 3.346 -5.837 1.00 14.20 C ATOM 487 CD1 ILE A 29 28.033 3.203 -5.259 1.00 53.33 C ATOM 0 H ILE A 29 26.019 7.464 -4.598 1.00 72.35 H new ATOM 0 HA ILE A 29 25.037 5.743 -6.771 1.00 73.41 H new ATOM 0 HB ILE A 29 25.834 4.491 -4.177 1.00 2.45 H new ATOM 0 HG12 ILE A 29 27.516 4.736 -6.686 1.00 52.44 H new ATOM 0 HG13 ILE A 29 27.904 5.350 -5.091 1.00 52.44 H new ATOM 0 HG21 ILE A 29 25.658 2.431 -5.505 1.00 14.20 H new ATOM 0 HG22 ILE A 29 24.135 3.351 -5.490 1.00 14.20 H new ATOM 0 HG23 ILE A 29 25.185 3.392 -6.926 1.00 14.20 H new ATOM 0 HD11 ILE A 29 29.090 3.221 -5.523 1.00 53.33 H new ATOM 0 HD12 ILE A 29 27.929 3.027 -4.188 1.00 53.33 H new ATOM 0 HD13 ILE A 29 27.536 2.403 -5.808 1.00 53.33 H new ATOM 499 N PRO A 30 22.975 6.753 -5.799 1.00 22.43 N ATOM 500 CA PRO A 30 21.659 7.079 -5.276 1.00 25.34 C ATOM 501 C PRO A 30 20.791 5.825 -5.156 1.00 55.03 C ATOM 502 O PRO A 30 20.035 5.500 -6.071 1.00 21.41 O ATOM 503 CB PRO A 30 21.094 8.104 -6.245 1.00 73.41 C ATOM 504 CG PRO A 30 21.912 7.968 -7.519 1.00 53.21 C ATOM 505 CD PRO A 30 23.148 7.146 -7.194 1.00 70.10 C ATOM 0 HA PRO A 30 21.696 7.485 -4.265 1.00 25.34 H new ATOM 0 HB2 PRO A 30 20.037 7.918 -6.438 1.00 73.41 H new ATOM 0 HB3 PRO A 30 21.171 9.112 -5.837 1.00 73.41 H new ATOM 0 HG2 PRO A 30 21.325 7.483 -8.299 1.00 53.21 H new ATOM 0 HG3 PRO A 30 22.195 8.950 -7.897 1.00 53.21 H new ATOM 0 HD2 PRO A 30 23.226 6.275 -7.844 1.00 70.10 H new ATOM 0 HD3 PRO A 30 24.059 7.729 -7.331 1.00 70.10 H new ATOM 513 N VAL A 31 20.927 5.155 -4.021 1.00 54.42 N ATOM 514 CA VAL A 31 20.163 3.945 -3.770 1.00 63.23 C ATOM 515 C VAL A 31 18.798 4.319 -3.189 1.00 63.13 C ATOM 516 O VAL A 31 18.683 5.287 -2.439 1.00 22.31 O ATOM 517 CB VAL A 31 20.960 3.002 -2.866 1.00 72.11 C ATOM 518 CG1 VAL A 31 20.076 1.869 -2.342 1.00 31.44 C ATOM 519 CG2 VAL A 31 22.186 2.449 -3.595 1.00 73.44 C ATOM 0 H VAL A 31 21.555 5.427 -3.265 1.00 54.42 H new ATOM 0 HA VAL A 31 19.983 3.407 -4.701 1.00 63.23 H new ATOM 0 HB VAL A 31 21.312 3.577 -2.009 1.00 72.11 H new ATOM 0 HG11 VAL A 31 20.666 1.213 -1.702 1.00 31.44 H new ATOM 0 HG12 VAL A 31 19.250 2.288 -1.768 1.00 31.44 H new ATOM 0 HG13 VAL A 31 19.681 1.297 -3.182 1.00 31.44 H new ATOM 0 HG21 VAL A 31 22.735 1.782 -2.930 1.00 73.44 H new ATOM 0 HG22 VAL A 31 21.866 1.897 -4.479 1.00 73.44 H new ATOM 0 HG23 VAL A 31 22.833 3.273 -3.896 1.00 73.44 H new ATOM 529 N ILE A 32 17.798 3.532 -3.558 1.00 40.32 N ATOM 530 CA ILE A 32 16.445 3.769 -3.083 1.00 24.20 C ATOM 531 C ILE A 32 16.034 2.634 -2.143 1.00 1.24 C ATOM 532 O ILE A 32 15.513 1.613 -2.587 1.00 71.34 O ATOM 533 CB ILE A 32 15.490 3.967 -4.262 1.00 4.32 C ATOM 534 CG1 ILE A 32 15.578 5.395 -4.804 1.00 44.32 C ATOM 535 CG2 ILE A 32 14.059 3.587 -3.878 1.00 10.13 C ATOM 536 CD1 ILE A 32 14.613 6.323 -4.065 1.00 15.24 C ATOM 0 H ILE A 32 17.897 2.730 -4.180 1.00 40.32 H new ATOM 0 HA ILE A 32 16.400 4.693 -2.507 1.00 24.20 H new ATOM 0 HB ILE A 32 15.796 3.298 -5.066 1.00 4.32 H new ATOM 0 HG12 ILE A 32 16.597 5.766 -4.698 1.00 44.32 H new ATOM 0 HG13 ILE A 32 15.347 5.398 -5.869 1.00 44.32 H new ATOM 0 HG21 ILE A 32 13.401 3.737 -4.734 1.00 10.13 H new ATOM 0 HG22 ILE A 32 14.029 2.540 -3.576 1.00 10.13 H new ATOM 0 HG23 ILE A 32 13.726 4.213 -3.050 1.00 10.13 H new ATOM 0 HD11 ILE A 32 14.696 7.332 -4.470 1.00 15.24 H new ATOM 0 HD12 ILE A 32 13.592 5.963 -4.193 1.00 15.24 H new ATOM 0 HD13 ILE A 32 14.862 6.337 -3.004 1.00 15.24 H new ATOM 548 N CYS A 33 16.284 2.852 -0.860 1.00 21.32 N ATOM 549 CA CYS A 33 15.946 1.860 0.147 1.00 3.11 C ATOM 550 C CYS A 33 14.423 1.809 0.279 1.00 71.11 C ATOM 551 O CYS A 33 13.734 2.770 -0.060 1.00 4.34 O ATOM 552 CB CYS A 33 16.625 2.159 1.485 1.00 22.23 C ATOM 553 SG CYS A 33 17.175 0.600 2.270 1.00 64.33 S ATOM 0 H CYS A 33 16.716 3.701 -0.495 1.00 21.32 H new ATOM 0 HA CYS A 33 16.316 0.883 -0.163 1.00 3.11 H new ATOM 0 HB2 CYS A 33 17.479 2.818 1.330 1.00 22.23 H new ATOM 0 HB3 CYS A 33 15.933 2.683 2.144 1.00 22.23 H new ATOM 0 HG CYS A 33 16.191 -0.249 2.284 1.00 64.33 H new ATOM 559 N GLU A 34 13.941 0.677 0.772 1.00 42.34 N ATOM 560 CA GLU A 34 12.512 0.488 0.952 1.00 12.22 C ATOM 561 C GLU A 34 12.209 0.076 2.394 1.00 0.13 C ATOM 562 O GLU A 34 13.076 -0.454 3.087 1.00 1.23 O ATOM 563 CB GLU A 34 11.965 -0.542 -0.038 1.00 45.35 C ATOM 564 CG GLU A 34 11.824 0.064 -1.436 1.00 71.35 C ATOM 565 CD GLU A 34 13.068 -0.215 -2.283 1.00 75.11 C ATOM 566 OE1 GLU A 34 13.717 -1.257 -2.107 1.00 11.44 O ATOM 567 OE2 GLU A 34 13.352 0.696 -3.151 1.00 75.23 O ATOM 0 H GLU A 34 14.515 -0.118 1.052 1.00 42.34 H new ATOM 0 HA GLU A 34 12.012 1.436 0.752 1.00 12.22 H new ATOM 0 HB2 GLU A 34 12.631 -1.404 -0.077 1.00 45.35 H new ATOM 0 HB3 GLU A 34 10.996 -0.903 0.305 1.00 45.35 H new ATOM 0 HG2 GLU A 34 10.944 -0.350 -1.929 1.00 71.35 H new ATOM 0 HG3 GLU A 34 11.668 1.140 -1.356 1.00 71.35 H new ATOM 575 N LYS A 35 10.976 0.335 2.803 1.00 12.35 N ATOM 576 CA LYS A 35 10.548 -0.002 4.150 1.00 32.15 C ATOM 577 C LYS A 35 9.805 -1.340 4.125 1.00 4.41 C ATOM 578 O LYS A 35 8.929 -1.552 3.288 1.00 3.51 O ATOM 579 CB LYS A 35 9.733 1.142 4.756 1.00 12.41 C ATOM 580 CG LYS A 35 8.677 0.610 5.727 1.00 24.34 C ATOM 581 CD LYS A 35 9.328 0.070 7.002 1.00 25.52 C ATOM 582 CE LYS A 35 8.306 -0.667 7.870 1.00 2.12 C ATOM 583 NZ LYS A 35 7.689 0.261 8.845 1.00 65.24 N ATOM 0 H LYS A 35 10.259 0.774 2.225 1.00 12.35 H new ATOM 0 HA LYS A 35 11.412 -0.128 4.803 1.00 32.15 H new ATOM 0 HB2 LYS A 35 10.398 1.830 5.278 1.00 12.41 H new ATOM 0 HB3 LYS A 35 9.248 1.709 3.961 1.00 12.41 H new ATOM 0 HG2 LYS A 35 7.977 1.406 5.981 1.00 24.34 H new ATOM 0 HG3 LYS A 35 8.100 -0.180 5.246 1.00 24.34 H new ATOM 0 HD2 LYS A 35 10.143 -0.605 6.741 1.00 25.52 H new ATOM 0 HD3 LYS A 35 9.765 0.893 7.568 1.00 25.52 H new ATOM 0 HE2 LYS A 35 7.534 -1.107 7.239 1.00 2.12 H new ATOM 0 HE3 LYS A 35 8.792 -1.488 8.397 1.00 2.12 H new ATOM 0 HZ1 LYS A 35 7.563 -0.226 9.755 1.00 65.24 H new ATOM 0 HZ2 LYS A 35 8.307 1.087 8.977 1.00 65.24 H new ATOM 0 HZ3 LYS A 35 6.763 0.574 8.489 1.00 65.24 H new ATOM 596 N ALA A 36 10.183 -2.207 5.052 1.00 31.34 N ATOM 597 CA ALA A 36 9.564 -3.518 5.147 1.00 72.41 C ATOM 598 C ALA A 36 8.495 -3.495 6.241 1.00 31.23 C ATOM 599 O ALA A 36 8.817 -3.449 7.428 1.00 72.24 O ATOM 600 CB ALA A 36 10.641 -4.574 5.406 1.00 75.10 C ATOM 0 H ALA A 36 10.910 -2.027 5.744 1.00 31.34 H new ATOM 0 HA ALA A 36 9.071 -3.778 4.210 1.00 72.41 H new ATOM 0 HB1 ALA A 36 10.177 -5.558 5.477 1.00 75.10 H new ATOM 0 HB2 ALA A 36 11.359 -4.570 4.586 1.00 75.10 H new ATOM 0 HB3 ALA A 36 11.156 -4.347 6.340 1.00 75.10 H new ATOM 606 N GLU A 37 7.245 -3.528 5.804 1.00 53.13 N ATOM 607 CA GLU A 37 6.126 -3.511 6.731 1.00 24.13 C ATOM 608 C GLU A 37 6.064 -4.826 7.511 1.00 11.02 C ATOM 609 O GLU A 37 5.852 -4.824 8.723 1.00 41.41 O ATOM 610 CB GLU A 37 4.810 -3.245 5.998 1.00 20.44 C ATOM 611 CG GLU A 37 4.410 -4.445 5.137 1.00 30.13 C ATOM 612 CD GLU A 37 3.126 -4.156 4.357 1.00 62.03 C ATOM 613 OE1 GLU A 37 3.147 -3.371 3.397 1.00 4.55 O ATOM 614 OE2 GLU A 37 2.079 -4.781 4.778 1.00 65.51 O ATOM 0 H GLU A 37 6.982 -3.566 4.819 1.00 53.13 H new ATOM 0 HA GLU A 37 6.279 -2.697 7.440 1.00 24.13 H new ATOM 0 HB2 GLU A 37 4.023 -3.034 6.722 1.00 20.44 H new ATOM 0 HB3 GLU A 37 4.912 -2.360 5.370 1.00 20.44 H new ATOM 0 HG2 GLU A 37 5.216 -4.684 4.443 1.00 30.13 H new ATOM 0 HG3 GLU A 37 4.266 -5.320 5.771 1.00 30.13 H new ATOM 622 N LYS A 38 6.252 -5.918 6.784 1.00 2.45 N ATOM 623 CA LYS A 38 6.220 -7.237 7.393 1.00 12.31 C ATOM 624 C LYS A 38 7.042 -7.218 8.684 1.00 75.45 C ATOM 625 O LYS A 38 6.733 -7.941 9.630 1.00 3.22 O ATOM 626 CB LYS A 38 6.672 -8.300 6.391 1.00 64.42 C ATOM 627 CG LYS A 38 5.664 -8.442 5.249 1.00 60.03 C ATOM 628 CD LYS A 38 4.578 -9.462 5.599 1.00 5.31 C ATOM 629 CE LYS A 38 4.772 -10.760 4.813 1.00 33.11 C ATOM 630 NZ LYS A 38 3.516 -11.543 4.789 1.00 50.02 N ATOM 0 H LYS A 38 6.427 -5.916 5.779 1.00 2.45 H new ATOM 0 HA LYS A 38 5.200 -7.505 7.669 1.00 12.31 H new ATOM 0 HB2 LYS A 38 7.649 -8.032 5.987 1.00 64.42 H new ATOM 0 HB3 LYS A 38 6.788 -9.257 6.899 1.00 64.42 H new ATOM 0 HG2 LYS A 38 5.206 -7.475 5.041 1.00 60.03 H new ATOM 0 HG3 LYS A 38 6.180 -8.752 4.340 1.00 60.03 H new ATOM 0 HD2 LYS A 38 4.603 -9.673 6.668 1.00 5.31 H new ATOM 0 HD3 LYS A 38 3.596 -9.043 5.380 1.00 5.31 H new ATOM 0 HE2 LYS A 38 5.085 -10.532 3.794 1.00 33.11 H new ATOM 0 HE3 LYS A 38 5.568 -11.351 5.266 1.00 33.11 H new ATOM 0 HZ1 LYS A 38 3.664 -12.421 4.252 1.00 50.02 H new ATOM 0 HZ2 LYS A 38 3.234 -11.776 5.762 1.00 50.02 H new ATOM 0 HZ3 LYS A 38 2.766 -10.983 4.336 1.00 50.02 H new ATOM 643 N SER A 39 8.071 -6.385 8.680 1.00 43.11 N ATOM 644 CA SER A 39 8.940 -6.263 9.839 1.00 73.05 C ATOM 645 C SER A 39 8.217 -5.510 10.957 1.00 10.02 C ATOM 646 O SER A 39 7.147 -4.943 10.739 1.00 64.14 O ATOM 647 CB SER A 39 10.245 -5.551 9.476 1.00 35.03 C ATOM 648 OG SER A 39 11.320 -5.944 10.324 1.00 23.03 O ATOM 0 H SER A 39 8.323 -5.787 7.893 1.00 43.11 H new ATOM 0 HA SER A 39 9.190 -7.265 10.187 1.00 73.05 H new ATOM 0 HB2 SER A 39 10.502 -5.770 8.440 1.00 35.03 H new ATOM 0 HB3 SER A 39 10.102 -4.473 9.548 1.00 35.03 H new ATOM 0 HG SER A 39 11.569 -6.871 10.128 1.00 23.03 H new ATOM 654 N ASP A 40 8.830 -5.529 12.132 1.00 41.45 N ATOM 655 CA ASP A 40 8.259 -4.855 13.285 1.00 14.40 C ATOM 656 C ASP A 40 8.941 -3.498 13.467 1.00 3.44 C ATOM 657 O ASP A 40 9.097 -3.023 14.592 1.00 60.15 O ATOM 658 CB ASP A 40 8.476 -5.669 14.562 1.00 12.41 C ATOM 659 CG ASP A 40 7.388 -5.505 15.626 1.00 62.53 C ATOM 660 OD1 ASP A 40 6.187 -5.552 15.323 1.00 53.11 O ATOM 661 OD2 ASP A 40 7.823 -5.321 16.826 1.00 20.42 O ATOM 0 H ASP A 40 9.717 -6.001 12.310 1.00 41.45 H new ATOM 0 HA ASP A 40 7.190 -4.736 13.111 1.00 14.40 H new ATOM 0 HB2 ASP A 40 8.546 -6.724 14.295 1.00 12.41 H new ATOM 0 HB3 ASP A 40 9.434 -5.386 14.997 1.00 12.41 H new ATOM 667 N ILE A 41 9.330 -2.911 12.345 1.00 64.21 N ATOM 668 CA ILE A 41 9.993 -1.618 12.367 1.00 71.13 C ATOM 669 C ILE A 41 9.040 -0.553 11.821 1.00 1.41 C ATOM 670 O ILE A 41 8.149 -0.858 11.031 1.00 54.13 O ATOM 671 CB ILE A 41 11.328 -1.688 11.623 1.00 4.33 C ATOM 672 CG1 ILE A 41 11.165 -1.266 10.162 1.00 51.14 C ATOM 673 CG2 ILE A 41 11.956 -3.077 11.752 1.00 32.21 C ATOM 674 CD1 ILE A 41 12.343 -1.753 9.315 1.00 10.44 C ATOM 0 H ILE A 41 9.199 -3.307 11.414 1.00 64.21 H new ATOM 0 HA ILE A 41 10.239 -1.333 13.390 1.00 71.13 H new ATOM 0 HB ILE A 41 12.015 -0.980 12.087 1.00 4.33 H new ATOM 0 HG12 ILE A 41 10.235 -1.671 9.764 1.00 51.14 H new ATOM 0 HG13 ILE A 41 11.092 -0.180 10.099 1.00 51.14 H new ATOM 0 HG21 ILE A 41 12.904 -3.099 11.214 1.00 32.21 H new ATOM 0 HG22 ILE A 41 12.131 -3.301 12.804 1.00 32.21 H new ATOM 0 HG23 ILE A 41 11.282 -3.822 11.330 1.00 32.21 H new ATOM 0 HD11 ILE A 41 12.202 -1.439 8.281 1.00 10.44 H new ATOM 0 HD12 ILE A 41 13.269 -1.326 9.700 1.00 10.44 H new ATOM 0 HD13 ILE A 41 12.398 -2.841 9.360 1.00 10.44 H new ATOM 686 N PRO A 42 9.267 0.709 12.276 1.00 20.35 N ATOM 687 CA PRO A 42 8.439 1.821 11.843 1.00 43.24 C ATOM 688 C PRO A 42 8.787 2.238 10.412 1.00 12.00 C ATOM 689 O PRO A 42 9.858 1.905 9.907 1.00 31.24 O ATOM 690 CB PRO A 42 8.694 2.921 12.860 1.00 12.22 C ATOM 691 CG PRO A 42 9.996 2.554 13.554 1.00 55.20 C ATOM 692 CD PRO A 42 10.314 1.108 13.213 1.00 74.40 C ATOM 0 HA PRO A 42 7.379 1.568 11.807 1.00 43.24 H new ATOM 0 HB2 PRO A 42 8.772 3.893 12.373 1.00 12.22 H new ATOM 0 HB3 PRO A 42 7.875 2.988 13.576 1.00 12.22 H new ATOM 0 HG2 PRO A 42 10.802 3.210 13.225 1.00 55.20 H new ATOM 0 HG3 PRO A 42 9.902 2.680 14.633 1.00 55.20 H new ATOM 0 HD2 PRO A 42 11.303 1.015 12.764 1.00 74.40 H new ATOM 0 HD3 PRO A 42 10.308 0.480 14.104 1.00 74.40 H new ATOM 700 N GLU A 43 7.861 2.961 9.799 1.00 21.00 N ATOM 701 CA GLU A 43 8.056 3.427 8.437 1.00 61.04 C ATOM 702 C GLU A 43 8.965 4.657 8.421 1.00 5.35 C ATOM 703 O GLU A 43 9.235 5.247 9.467 1.00 53.54 O ATOM 704 CB GLU A 43 6.716 3.728 7.763 1.00 72.42 C ATOM 705 CG GLU A 43 6.903 4.007 6.270 1.00 31.11 C ATOM 706 CD GLU A 43 5.609 3.746 5.497 1.00 33.30 C ATOM 707 OE1 GLU A 43 5.412 2.639 4.972 1.00 4.35 O ATOM 708 OE2 GLU A 43 4.790 4.741 5.453 1.00 53.44 O ATOM 0 H GLU A 43 6.974 3.235 10.221 1.00 21.00 H new ATOM 0 HA GLU A 43 8.541 2.633 7.869 1.00 61.04 H new ATOM 0 HB2 GLU A 43 6.040 2.884 7.897 1.00 72.42 H new ATOM 0 HB3 GLU A 43 6.249 4.589 8.242 1.00 72.42 H new ATOM 0 HG2 GLU A 43 7.214 5.042 6.126 1.00 31.11 H new ATOM 0 HG3 GLU A 43 7.700 3.376 5.876 1.00 31.11 H new ATOM 716 N ILE A 44 9.414 5.008 7.225 1.00 74.31 N ATOM 717 CA ILE A 44 10.287 6.157 7.060 1.00 41.20 C ATOM 718 C ILE A 44 9.533 7.264 6.320 1.00 35.25 C ATOM 719 O ILE A 44 8.371 7.091 5.955 1.00 71.51 O ATOM 720 CB ILE A 44 11.594 5.744 6.380 1.00 20.22 C ATOM 721 CG1 ILE A 44 11.329 4.772 5.228 1.00 4.41 C ATOM 722 CG2 ILE A 44 12.584 5.171 7.397 1.00 54.20 C ATOM 723 CD1 ILE A 44 12.600 4.533 4.410 1.00 52.23 C ATOM 0 H ILE A 44 9.189 4.516 6.360 1.00 74.31 H new ATOM 0 HA ILE A 44 10.573 6.560 8.032 1.00 41.20 H new ATOM 0 HB ILE A 44 12.052 6.635 5.951 1.00 20.22 H new ATOM 0 HG12 ILE A 44 10.963 3.825 5.624 1.00 4.41 H new ATOM 0 HG13 ILE A 44 10.547 5.172 4.583 1.00 4.41 H new ATOM 0 HG21 ILE A 44 13.504 4.885 6.888 1.00 54.20 H new ATOM 0 HG22 ILE A 44 12.806 5.924 8.153 1.00 54.20 H new ATOM 0 HG23 ILE A 44 12.147 4.295 7.876 1.00 54.20 H new ATOM 0 HD11 ILE A 44 12.385 3.839 3.598 1.00 52.23 H new ATOM 0 HD12 ILE A 44 12.949 5.479 3.996 1.00 52.23 H new ATOM 0 HD13 ILE A 44 13.372 4.111 5.053 1.00 52.23 H new ATOM 735 N ASP A 45 10.224 8.377 6.122 1.00 34.42 N ATOM 736 CA ASP A 45 9.633 9.511 5.433 1.00 42.41 C ATOM 737 C ASP A 45 9.642 9.248 3.926 1.00 43.13 C ATOM 738 O ASP A 45 8.610 9.361 3.266 1.00 22.31 O ATOM 739 CB ASP A 45 10.431 10.790 5.694 1.00 0.42 C ATOM 740 CG ASP A 45 10.308 11.351 7.113 1.00 61.15 C ATOM 741 OD1 ASP A 45 10.072 12.553 7.306 1.00 22.21 O ATOM 742 OD2 ASP A 45 10.467 10.486 8.056 1.00 23.12 O ATOM 0 H ASP A 45 11.187 8.517 6.427 1.00 34.42 H new ATOM 0 HA ASP A 45 8.616 9.638 5.803 1.00 42.41 H new ATOM 0 HB2 ASP A 45 11.483 10.593 5.487 1.00 0.42 H new ATOM 0 HB3 ASP A 45 10.105 11.554 4.988 1.00 0.42 H new ATOM 748 N LYS A 46 10.819 8.903 3.425 1.00 62.42 N ATOM 749 CA LYS A 46 10.976 8.622 2.008 1.00 42.43 C ATOM 750 C LYS A 46 12.197 7.724 1.802 1.00 24.22 C ATOM 751 O LYS A 46 12.809 7.271 2.769 1.00 42.34 O ATOM 752 CB LYS A 46 11.029 9.925 1.207 1.00 63.13 C ATOM 753 CG LYS A 46 12.272 10.741 1.569 1.00 70.14 C ATOM 754 CD LYS A 46 11.994 11.667 2.754 1.00 15.12 C ATOM 755 CE LYS A 46 11.303 12.953 2.295 1.00 22.11 C ATOM 756 NZ LYS A 46 9.861 12.713 2.065 1.00 11.23 N ATOM 0 H LYS A 46 11.673 8.812 3.975 1.00 62.42 H new ATOM 0 HA LYS A 46 10.112 8.076 1.630 1.00 42.43 H new ATOM 0 HB2 LYS A 46 11.035 9.700 0.140 1.00 63.13 H new ATOM 0 HB3 LYS A 46 10.133 10.514 1.404 1.00 63.13 H new ATOM 0 HG2 LYS A 46 13.094 10.069 1.814 1.00 70.14 H new ATOM 0 HG3 LYS A 46 12.588 11.331 0.708 1.00 70.14 H new ATOM 0 HD2 LYS A 46 11.367 11.153 3.482 1.00 15.12 H new ATOM 0 HD3 LYS A 46 12.930 11.912 3.256 1.00 15.12 H new ATOM 0 HE2 LYS A 46 11.433 13.731 3.047 1.00 22.11 H new ATOM 0 HE3 LYS A 46 11.768 13.315 1.378 1.00 22.11 H new ATOM 0 HZ1 LYS A 46 9.327 13.581 2.272 1.00 11.23 H new ATOM 0 HZ2 LYS A 46 9.708 12.441 1.073 1.00 11.23 H new ATOM 0 HZ3 LYS A 46 9.533 11.948 2.688 1.00 11.23 H new ATOM 769 N ARG A 47 12.516 7.492 0.537 1.00 13.31 N ATOM 770 CA ARG A 47 13.653 6.656 0.192 1.00 32.05 C ATOM 771 C ARG A 47 14.660 7.448 -0.644 1.00 20.21 C ATOM 772 O ARG A 47 14.440 7.679 -1.832 1.00 23.31 O ATOM 773 CB ARG A 47 13.209 5.419 -0.592 1.00 3.42 C ATOM 774 CG ARG A 47 12.253 5.802 -1.723 1.00 73.31 C ATOM 775 CD ARG A 47 10.803 5.498 -1.341 1.00 14.31 C ATOM 776 NE ARG A 47 10.505 4.068 -1.577 1.00 64.14 N ATOM 777 CZ ARG A 47 10.144 3.558 -2.774 1.00 32.22 C ATOM 778 NH1 ARG A 47 10.031 4.359 -3.855 1.00 2.05 N ATOM 779 NH2 ARG A 47 9.902 2.264 -2.871 1.00 73.21 N ATOM 0 H ARG A 47 12.006 7.869 -0.262 1.00 13.31 H new ATOM 0 HA ARG A 47 14.122 6.334 1.122 1.00 32.05 H new ATOM 0 HB2 ARG A 47 14.082 4.913 -1.004 1.00 3.42 H new ATOM 0 HB3 ARG A 47 12.719 4.714 0.080 1.00 3.42 H new ATOM 0 HG2 ARG A 47 12.358 6.863 -1.950 1.00 73.31 H new ATOM 0 HG3 ARG A 47 12.517 5.255 -2.628 1.00 73.31 H new ATOM 0 HD2 ARG A 47 10.636 5.744 -0.292 1.00 14.31 H new ATOM 0 HD3 ARG A 47 10.126 6.120 -1.927 1.00 14.31 H new ATOM 0 HE ARG A 47 10.577 3.428 -0.786 1.00 64.14 H new ATOM 0 HH11 ARG A 47 10.219 5.358 -3.771 1.00 2.05 H new ATOM 0 HH12 ARG A 47 9.758 3.965 -4.755 1.00 2.05 H new ATOM 0 HH21 ARG A 47 9.989 1.666 -2.049 1.00 73.21 H new ATOM 0 HH22 ARG A 47 9.628 1.862 -3.768 1.00 73.21 H new ATOM 792 N LYS A 48 15.743 7.842 0.009 1.00 22.04 N ATOM 793 CA LYS A 48 16.785 8.603 -0.659 1.00 52.12 C ATOM 794 C LYS A 48 18.092 8.467 0.124 1.00 42.21 C ATOM 795 O LYS A 48 18.211 8.983 1.234 1.00 4.21 O ATOM 796 CB LYS A 48 16.340 10.052 -0.867 1.00 1.21 C ATOM 797 CG LYS A 48 17.237 10.761 -1.884 1.00 62.40 C ATOM 798 CD LYS A 48 16.995 12.271 -1.870 1.00 2.30 C ATOM 799 CE LYS A 48 18.096 13.010 -2.634 1.00 30.01 C ATOM 800 NZ LYS A 48 19.385 12.906 -1.914 1.00 42.34 N ATOM 0 H LYS A 48 15.922 7.648 0.994 1.00 22.04 H new ATOM 0 HA LYS A 48 16.968 8.204 -1.657 1.00 52.12 H new ATOM 0 HB2 LYS A 48 15.306 10.073 -1.212 1.00 1.21 H new ATOM 0 HB3 LYS A 48 16.370 10.585 0.083 1.00 1.21 H new ATOM 0 HG2 LYS A 48 18.283 10.555 -1.658 1.00 62.40 H new ATOM 0 HG3 LYS A 48 17.043 10.367 -2.882 1.00 62.40 H new ATOM 0 HD2 LYS A 48 16.026 12.492 -2.317 1.00 2.30 H new ATOM 0 HD3 LYS A 48 16.959 12.628 -0.841 1.00 2.30 H new ATOM 0 HE2 LYS A 48 18.197 12.590 -3.635 1.00 30.01 H new ATOM 0 HE3 LYS A 48 17.823 14.058 -2.754 1.00 30.01 H new ATOM 0 HZ1 LYS A 48 20.011 13.682 -2.210 1.00 42.34 H new ATOM 0 HZ2 LYS A 48 19.216 12.969 -0.890 1.00 42.34 H new ATOM 0 HZ3 LYS A 48 19.834 11.995 -2.136 1.00 42.34 H new ATOM 813 N TYR A 49 19.040 7.770 -0.485 1.00 71.13 N ATOM 814 CA TYR A 49 20.334 7.560 0.141 1.00 20.41 C ATOM 815 C TYR A 49 21.469 7.752 -0.867 1.00 72.31 C ATOM 816 O TYR A 49 21.824 6.824 -1.592 1.00 33.40 O ATOM 817 CB TYR A 49 20.338 6.108 0.624 1.00 34.04 C ATOM 818 CG TYR A 49 19.179 5.762 1.562 1.00 24.51 C ATOM 819 CD1 TYR A 49 17.974 5.337 1.042 1.00 54.41 C ATOM 820 CD2 TYR A 49 19.341 5.873 2.928 1.00 15.03 C ATOM 821 CE1 TYR A 49 16.883 5.011 1.924 1.00 5.34 C ATOM 822 CE2 TYR A 49 18.250 5.547 3.811 1.00 64.11 C ATOM 823 CZ TYR A 49 17.076 5.132 3.265 1.00 13.24 C ATOM 824 OH TYR A 49 16.046 4.824 4.099 1.00 41.21 O ATOM 0 H TYR A 49 18.938 7.343 -1.406 1.00 71.13 H new ATOM 0 HA TYR A 49 20.487 8.272 0.952 1.00 20.41 H new ATOM 0 HB2 TYR A 49 20.301 5.447 -0.242 1.00 34.04 H new ATOM 0 HB3 TYR A 49 21.279 5.909 1.137 1.00 34.04 H new ATOM 0 HD1 TYR A 49 17.849 5.249 -0.027 1.00 54.41 H new ATOM 0 HD2 TYR A 49 20.285 6.204 3.335 1.00 15.03 H new ATOM 0 HE1 TYR A 49 15.934 4.678 1.530 1.00 5.34 H new ATOM 0 HE2 TYR A 49 18.362 5.630 4.882 1.00 64.11 H new ATOM 0 HH TYR A 49 15.486 4.134 3.686 1.00 41.21 H new ATOM 834 N LEU A 50 22.007 8.963 -0.881 1.00 34.53 N ATOM 835 CA LEU A 50 23.094 9.288 -1.788 1.00 11.31 C ATOM 836 C LEU A 50 24.428 8.954 -1.119 1.00 24.44 C ATOM 837 O LEU A 50 24.985 9.775 -0.391 1.00 63.45 O ATOM 838 CB LEU A 50 22.987 10.742 -2.253 1.00 15.03 C ATOM 839 CG LEU A 50 23.762 11.099 -3.522 1.00 41.33 C ATOM 840 CD1 LEU A 50 25.208 11.476 -3.194 1.00 11.33 C ATOM 841 CD2 LEU A 50 23.684 9.968 -4.549 1.00 70.22 C ATOM 0 H LEU A 50 21.710 9.731 -0.279 1.00 34.53 H new ATOM 0 HA LEU A 50 23.030 8.682 -2.692 1.00 11.31 H new ATOM 0 HB2 LEU A 50 21.935 10.974 -2.417 1.00 15.03 H new ATOM 0 HB3 LEU A 50 23.334 11.387 -1.446 1.00 15.03 H new ATOM 0 HG LEU A 50 23.295 11.975 -3.972 1.00 41.33 H new ATOM 0 HD11 LEU A 50 25.737 11.725 -4.114 1.00 11.33 H new ATOM 0 HD12 LEU A 50 25.217 12.337 -2.526 1.00 11.33 H new ATOM 0 HD13 LEU A 50 25.702 10.635 -2.708 1.00 11.33 H new ATOM 0 HD21 LEU A 50 24.243 10.248 -5.442 1.00 70.22 H new ATOM 0 HD22 LEU A 50 24.111 9.060 -4.123 1.00 70.22 H new ATOM 0 HD23 LEU A 50 22.642 9.789 -4.815 1.00 70.22 H new ATOM 853 N VAL A 51 24.903 7.746 -1.388 1.00 53.22 N ATOM 854 CA VAL A 51 26.161 7.293 -0.821 1.00 64.21 C ATOM 855 C VAL A 51 27.199 7.157 -1.937 1.00 41.32 C ATOM 856 O VAL A 51 26.846 6.941 -3.095 1.00 71.53 O ATOM 857 CB VAL A 51 25.947 5.993 -0.043 1.00 72.13 C ATOM 858 CG1 VAL A 51 25.782 6.270 1.452 1.00 31.23 C ATOM 859 CG2 VAL A 51 24.748 5.217 -0.593 1.00 23.33 C ATOM 0 H VAL A 51 24.438 7.067 -1.991 1.00 53.22 H new ATOM 0 HA VAL A 51 26.543 8.024 -0.108 1.00 64.21 H new ATOM 0 HB VAL A 51 26.835 5.374 -0.173 1.00 72.13 H new ATOM 0 HG11 VAL A 51 25.631 5.329 1.982 1.00 31.23 H new ATOM 0 HG12 VAL A 51 26.678 6.761 1.832 1.00 31.23 H new ATOM 0 HG13 VAL A 51 24.919 6.917 1.609 1.00 31.23 H new ATOM 0 HG21 VAL A 51 24.617 4.297 -0.023 1.00 23.33 H new ATOM 0 HG22 VAL A 51 23.849 5.828 -0.508 1.00 23.33 H new ATOM 0 HG23 VAL A 51 24.922 4.973 -1.641 1.00 23.33 H new ATOM 869 N PRO A 52 28.492 7.294 -1.539 1.00 44.32 N ATOM 870 CA PRO A 52 29.584 7.189 -2.493 1.00 11.45 C ATOM 871 C PRO A 52 29.825 5.732 -2.892 1.00 51.32 C ATOM 872 O PRO A 52 29.223 4.822 -2.325 1.00 71.33 O ATOM 873 CB PRO A 52 30.778 7.819 -1.794 1.00 40.22 C ATOM 874 CG PRO A 52 30.436 7.832 -0.313 1.00 54.02 C ATOM 875 CD PRO A 52 28.948 7.552 -0.176 1.00 61.43 C ATOM 0 HA PRO A 52 29.373 7.701 -3.432 1.00 11.45 H new ATOM 0 HB2 PRO A 52 31.686 7.246 -1.980 1.00 40.22 H new ATOM 0 HB3 PRO A 52 30.958 8.829 -2.162 1.00 40.22 H new ATOM 0 HG2 PRO A 52 31.017 7.079 0.220 1.00 54.02 H new ATOM 0 HG3 PRO A 52 30.685 8.797 0.128 1.00 54.02 H new ATOM 0 HD2 PRO A 52 28.764 6.695 0.472 1.00 61.43 H new ATOM 0 HD3 PRO A 52 28.424 8.401 0.263 1.00 61.43 H new ATOM 883 N ALA A 53 30.707 5.557 -3.865 1.00 54.24 N ATOM 884 CA ALA A 53 31.035 4.226 -4.347 1.00 52.34 C ATOM 885 C ALA A 53 32.212 3.673 -3.542 1.00 63.03 C ATOM 886 O ALA A 53 32.884 2.740 -3.979 1.00 72.34 O ATOM 887 CB ALA A 53 31.330 4.285 -5.847 1.00 64.24 C ATOM 0 H ALA A 53 31.205 6.315 -4.333 1.00 54.24 H new ATOM 0 HA ALA A 53 30.193 3.548 -4.207 1.00 52.34 H new ATOM 0 HB1 ALA A 53 31.576 3.287 -6.209 1.00 64.24 H new ATOM 0 HB2 ALA A 53 30.452 4.657 -6.376 1.00 64.24 H new ATOM 0 HB3 ALA A 53 32.172 4.954 -6.026 1.00 64.24 H new ATOM 893 N ASP A 54 32.427 4.272 -2.380 1.00 51.12 N ATOM 894 CA ASP A 54 33.512 3.851 -1.510 1.00 73.01 C ATOM 895 C ASP A 54 32.948 3.504 -0.131 1.00 11.23 C ATOM 896 O ASP A 54 33.697 3.156 0.781 1.00 42.24 O ATOM 897 CB ASP A 54 34.541 4.969 -1.333 1.00 20.23 C ATOM 898 CG ASP A 54 35.495 5.163 -2.513 1.00 72.12 C ATOM 899 OD1 ASP A 54 36.335 4.298 -2.805 1.00 15.44 O ATOM 900 OD2 ASP A 54 35.349 6.272 -3.155 1.00 52.23 O ATOM 0 H ASP A 54 31.868 5.046 -2.021 1.00 51.12 H new ATOM 0 HA ASP A 54 33.994 2.986 -1.966 1.00 73.01 H new ATOM 0 HB2 ASP A 54 34.011 5.905 -1.156 1.00 20.23 H new ATOM 0 HB3 ASP A 54 35.130 4.762 -0.439 1.00 20.23 H new ATOM 906 N LEU A 55 31.632 3.611 -0.021 1.00 11.24 N ATOM 907 CA LEU A 55 30.959 3.313 1.232 1.00 10.33 C ATOM 908 C LEU A 55 30.530 1.845 1.239 1.00 24.43 C ATOM 909 O LEU A 55 30.349 1.242 0.182 1.00 2.04 O ATOM 910 CB LEU A 55 29.806 4.291 1.467 1.00 2.51 C ATOM 911 CG LEU A 55 28.877 3.965 2.638 1.00 24.23 C ATOM 912 CD1 LEU A 55 28.353 5.243 3.295 1.00 53.10 C ATOM 913 CD2 LEU A 55 27.742 3.040 2.196 1.00 33.10 C ATOM 0 H LEU A 55 31.014 3.900 -0.779 1.00 11.24 H new ATOM 0 HA LEU A 55 31.640 3.451 2.072 1.00 10.33 H new ATOM 0 HB2 LEU A 55 30.225 5.284 1.628 1.00 2.51 H new ATOM 0 HB3 LEU A 55 29.207 4.341 0.557 1.00 2.51 H new ATOM 0 HG LEU A 55 29.453 3.429 3.392 1.00 24.23 H new ATOM 0 HD11 LEU A 55 27.695 4.982 4.124 1.00 53.10 H new ATOM 0 HD12 LEU A 55 29.192 5.831 3.668 1.00 53.10 H new ATOM 0 HD13 LEU A 55 27.798 5.828 2.562 1.00 53.10 H new ATOM 0 HD21 LEU A 55 27.096 2.824 3.047 1.00 33.10 H new ATOM 0 HD22 LEU A 55 27.160 3.527 1.413 1.00 33.10 H new ATOM 0 HD23 LEU A 55 28.160 2.109 1.812 1.00 33.10 H new ATOM 925 N THR A 56 30.381 1.311 2.443 1.00 73.33 N ATOM 926 CA THR A 56 29.977 -0.076 2.601 1.00 32.02 C ATOM 927 C THR A 56 28.513 -0.158 3.038 1.00 72.54 C ATOM 928 O THR A 56 27.955 0.816 3.541 1.00 25.30 O ATOM 929 CB THR A 56 30.942 -0.740 3.585 1.00 64.12 C ATOM 930 OG1 THR A 56 30.526 -0.257 4.859 1.00 25.13 O ATOM 931 CG2 THR A 56 32.375 -0.222 3.439 1.00 33.23 C ATOM 0 H THR A 56 30.533 1.814 3.318 1.00 73.33 H new ATOM 0 HA THR A 56 30.032 -0.614 1.655 1.00 32.02 H new ATOM 0 HB THR A 56 30.929 -1.819 3.434 1.00 64.12 H new ATOM 0 HG1 THR A 56 30.131 -0.991 5.374 1.00 25.13 H new ATOM 0 HG21 THR A 56 33.019 -0.725 4.160 1.00 33.23 H new ATOM 0 HG22 THR A 56 32.734 -0.423 2.430 1.00 33.23 H new ATOM 0 HG23 THR A 56 32.394 0.852 3.623 1.00 33.23 H new ATOM 939 N VAL A 57 27.931 -1.331 2.829 1.00 45.44 N ATOM 940 CA VAL A 57 26.543 -1.553 3.194 1.00 12.01 C ATOM 941 C VAL A 57 26.327 -1.121 4.646 1.00 54.02 C ATOM 942 O VAL A 57 25.331 -0.471 4.962 1.00 23.12 O ATOM 943 CB VAL A 57 26.163 -3.014 2.942 1.00 12.51 C ATOM 944 CG1 VAL A 57 24.741 -3.301 3.427 1.00 75.43 C ATOM 945 CG2 VAL A 57 26.322 -3.374 1.464 1.00 61.22 C ATOM 0 H VAL A 57 28.396 -2.137 2.411 1.00 45.44 H new ATOM 0 HA VAL A 57 25.883 -0.948 2.573 1.00 12.01 H new ATOM 0 HB VAL A 57 26.845 -3.642 3.515 1.00 12.51 H new ATOM 0 HG11 VAL A 57 24.495 -4.346 3.236 1.00 75.43 H new ATOM 0 HG12 VAL A 57 24.674 -3.102 4.497 1.00 75.43 H new ATOM 0 HG13 VAL A 57 24.039 -2.660 2.894 1.00 75.43 H new ATOM 0 HG21 VAL A 57 26.046 -4.417 1.312 1.00 61.22 H new ATOM 0 HG22 VAL A 57 25.675 -2.736 0.862 1.00 61.22 H new ATOM 0 HG23 VAL A 57 27.359 -3.226 1.163 1.00 61.22 H new ATOM 955 N GLY A 58 27.275 -1.499 5.490 1.00 62.41 N ATOM 956 CA GLY A 58 27.201 -1.159 6.901 1.00 70.24 C ATOM 957 C GLY A 58 26.781 0.300 7.092 1.00 64.25 C ATOM 958 O GLY A 58 25.724 0.577 7.656 1.00 60.44 O ATOM 0 H GLY A 58 28.099 -2.038 5.224 1.00 62.41 H new ATOM 0 HA2 GLY A 58 26.488 -1.815 7.400 1.00 70.24 H new ATOM 0 HA3 GLY A 58 28.170 -1.327 7.370 1.00 70.24 H new ATOM 962 N GLN A 59 27.632 1.194 6.611 1.00 40.55 N ATOM 963 CA GLN A 59 27.363 2.618 6.721 1.00 12.11 C ATOM 964 C GLN A 59 25.908 2.914 6.350 1.00 64.35 C ATOM 965 O GLN A 59 25.213 3.628 7.070 1.00 52.01 O ATOM 966 CB GLN A 59 28.326 3.428 5.851 1.00 24.51 C ATOM 967 CG GLN A 59 29.765 2.937 6.024 1.00 63.11 C ATOM 968 CD GLN A 59 30.061 2.610 7.489 1.00 33.21 C ATOM 969 OE1 GLN A 59 30.306 1.474 7.861 1.00 3.11 O ATOM 970 NE2 GLN A 59 30.024 3.665 8.297 1.00 15.42 N ATOM 0 H GLN A 59 28.508 0.960 6.144 1.00 40.55 H new ATOM 0 HA GLN A 59 27.522 2.918 7.757 1.00 12.11 H new ATOM 0 HB2 GLN A 59 28.033 3.346 4.804 1.00 24.51 H new ATOM 0 HB3 GLN A 59 28.263 4.483 6.118 1.00 24.51 H new ATOM 0 HG2 GLN A 59 29.927 2.051 5.410 1.00 63.11 H new ATOM 0 HG3 GLN A 59 30.458 3.700 5.671 1.00 63.11 H new ATOM 0 HE21 GLN A 59 29.812 4.589 7.920 1.00 15.42 H new ATOM 0 HE22 GLN A 59 30.207 3.551 9.294 1.00 15.42 H new ATOM 979 N PHE A 60 25.492 2.349 5.226 1.00 52.45 N ATOM 980 CA PHE A 60 24.133 2.544 4.750 1.00 73.44 C ATOM 981 C PHE A 60 23.115 2.043 5.777 1.00 62.23 C ATOM 982 O PHE A 60 22.088 2.681 6.000 1.00 12.11 O ATOM 983 CB PHE A 60 23.988 1.726 3.465 1.00 74.51 C ATOM 984 CG PHE A 60 22.852 2.195 2.553 1.00 43.20 C ATOM 985 CD1 PHE A 60 23.069 3.196 1.658 1.00 70.13 C ATOM 986 CD2 PHE A 60 21.627 1.612 2.638 1.00 55.32 C ATOM 987 CE1 PHE A 60 22.015 3.632 0.811 1.00 24.25 C ATOM 988 CE2 PHE A 60 20.573 2.048 1.792 1.00 52.35 C ATOM 989 CZ PHE A 60 20.790 3.049 0.896 1.00 35.12 C ATOM 0 H PHE A 60 26.072 1.757 4.632 1.00 52.45 H new ATOM 0 HA PHE A 60 23.946 3.605 4.581 1.00 73.44 H new ATOM 0 HB2 PHE A 60 24.926 1.769 2.911 1.00 74.51 H new ATOM 0 HB3 PHE A 60 23.821 0.682 3.728 1.00 74.51 H new ATOM 0 HD1 PHE A 60 24.042 3.659 1.591 1.00 70.13 H new ATOM 0 HD2 PHE A 60 21.455 0.817 3.349 1.00 55.32 H new ATOM 0 HE1 PHE A 60 22.187 4.426 0.100 1.00 24.25 H new ATOM 0 HE2 PHE A 60 19.599 1.585 1.860 1.00 52.35 H new ATOM 0 HZ PHE A 60 19.989 3.380 0.252 1.00 35.12 H new ATOM 999 N VAL A 61 23.437 0.905 6.374 1.00 35.23 N ATOM 1000 CA VAL A 61 22.563 0.311 7.372 1.00 3.04 C ATOM 1001 C VAL A 61 22.387 1.289 8.536 1.00 71.21 C ATOM 1002 O VAL A 61 21.468 1.142 9.341 1.00 43.33 O ATOM 1003 CB VAL A 61 23.117 -1.046 7.811 1.00 72.30 C ATOM 1004 CG1 VAL A 61 22.094 -1.808 8.657 1.00 43.04 C ATOM 1005 CG2 VAL A 61 23.556 -1.876 6.603 1.00 52.35 C ATOM 0 H VAL A 61 24.290 0.379 6.186 1.00 35.23 H new ATOM 0 HA VAL A 61 21.575 0.124 6.952 1.00 3.04 H new ATOM 0 HB VAL A 61 23.996 -0.865 8.430 1.00 72.30 H new ATOM 0 HG11 VAL A 61 22.513 -2.769 8.956 1.00 43.04 H new ATOM 0 HG12 VAL A 61 21.851 -1.226 9.546 1.00 43.04 H new ATOM 0 HG13 VAL A 61 21.189 -1.973 8.072 1.00 43.04 H new ATOM 0 HG21 VAL A 61 23.946 -2.835 6.943 1.00 52.35 H new ATOM 0 HG22 VAL A 61 22.702 -2.043 5.947 1.00 52.35 H new ATOM 0 HG23 VAL A 61 24.334 -1.341 6.057 1.00 52.35 H new ATOM 1015 N TYR A 62 23.281 2.265 8.588 1.00 64.33 N ATOM 1016 CA TYR A 62 23.236 3.267 9.639 1.00 21.52 C ATOM 1017 C TYR A 62 22.319 4.428 9.251 1.00 35.31 C ATOM 1018 O TYR A 62 21.495 4.867 10.052 1.00 75.21 O ATOM 1019 CB TYR A 62 24.667 3.789 9.785 1.00 15.44 C ATOM 1020 CG TYR A 62 25.021 4.244 11.203 1.00 62.44 C ATOM 1021 CD1 TYR A 62 24.654 3.472 12.287 1.00 44.13 C ATOM 1022 CD2 TYR A 62 25.708 5.425 11.397 1.00 32.22 C ATOM 1023 CE1 TYR A 62 24.988 3.900 13.621 1.00 62.43 C ATOM 1024 CE2 TYR A 62 26.042 5.852 12.731 1.00 13.31 C ATOM 1025 CZ TYR A 62 25.665 5.069 13.777 1.00 24.40 C ATOM 1026 OH TYR A 62 25.981 5.472 15.037 1.00 54.31 O ATOM 0 H TYR A 62 24.041 2.383 7.919 1.00 64.33 H new ATOM 0 HA TYR A 62 22.852 2.837 10.564 1.00 21.52 H new ATOM 0 HB2 TYR A 62 25.362 3.006 9.482 1.00 15.44 H new ATOM 0 HB3 TYR A 62 24.810 4.625 9.100 1.00 15.44 H new ATOM 0 HD1 TYR A 62 24.117 2.548 12.135 1.00 44.13 H new ATOM 0 HD2 TYR A 62 25.995 6.029 10.549 1.00 32.22 H new ATOM 0 HE1 TYR A 62 24.707 3.306 14.478 1.00 62.43 H new ATOM 0 HE2 TYR A 62 26.580 6.774 12.897 1.00 13.31 H new ATOM 0 HH TYR A 62 26.465 6.323 14.996 1.00 54.31 H new ATOM 1036 N VAL A 63 22.492 4.892 8.022 1.00 1.05 N ATOM 1037 CA VAL A 63 21.690 5.994 7.518 1.00 31.35 C ATOM 1038 C VAL A 63 20.207 5.635 7.636 1.00 22.10 C ATOM 1039 O VAL A 63 19.382 6.487 7.961 1.00 4.44 O ATOM 1040 CB VAL A 63 22.111 6.336 6.088 1.00 74.33 C ATOM 1041 CG1 VAL A 63 21.049 7.191 5.394 1.00 73.04 C ATOM 1042 CG2 VAL A 63 23.473 7.031 6.068 1.00 24.13 C ATOM 0 H VAL A 63 23.176 4.525 7.360 1.00 1.05 H new ATOM 0 HA VAL A 63 21.855 6.891 8.114 1.00 31.35 H new ATOM 0 HB VAL A 63 22.204 5.402 5.534 1.00 74.33 H new ATOM 0 HG11 VAL A 63 21.373 7.420 4.379 1.00 73.04 H new ATOM 0 HG12 VAL A 63 20.107 6.644 5.360 1.00 73.04 H new ATOM 0 HG13 VAL A 63 20.910 8.119 5.949 1.00 73.04 H new ATOM 0 HG21 VAL A 63 23.748 7.263 5.039 1.00 24.13 H new ATOM 0 HG22 VAL A 63 23.419 7.954 6.646 1.00 24.13 H new ATOM 0 HG23 VAL A 63 24.224 6.373 6.505 1.00 24.13 H new ATOM 1052 N ILE A 64 19.914 4.372 7.365 1.00 73.33 N ATOM 1053 CA ILE A 64 18.545 3.890 7.436 1.00 72.50 C ATOM 1054 C ILE A 64 18.091 3.869 8.897 1.00 2.30 C ATOM 1055 O ILE A 64 17.000 4.337 9.218 1.00 11.05 O ATOM 1056 CB ILE A 64 18.416 2.537 6.733 1.00 21.53 C ATOM 1057 CG1 ILE A 64 18.293 2.715 5.219 1.00 61.24 C ATOM 1058 CG2 ILE A 64 17.254 1.727 7.311 1.00 34.14 C ATOM 1059 CD1 ILE A 64 19.671 2.865 4.571 1.00 70.14 C ATOM 0 H ILE A 64 20.601 3.668 7.096 1.00 73.33 H new ATOM 0 HA ILE A 64 17.876 4.565 6.903 1.00 72.50 H new ATOM 0 HB ILE A 64 19.328 1.969 6.917 1.00 21.53 H new ATOM 0 HG12 ILE A 64 17.776 1.857 4.789 1.00 61.24 H new ATOM 0 HG13 ILE A 64 17.687 3.594 5.001 1.00 61.24 H new ATOM 0 HG21 ILE A 64 17.185 0.770 6.794 1.00 34.14 H new ATOM 0 HG22 ILE A 64 17.424 1.554 8.374 1.00 34.14 H new ATOM 0 HG23 ILE A 64 16.324 2.279 7.178 1.00 34.14 H new ATOM 0 HD11 ILE A 64 19.555 2.990 3.494 1.00 70.14 H new ATOM 0 HD12 ILE A 64 20.175 3.738 4.986 1.00 70.14 H new ATOM 0 HD13 ILE A 64 20.266 1.974 4.771 1.00 70.14 H new ATOM 1071 N ARG A 65 18.952 3.323 9.743 1.00 31.40 N ATOM 1072 CA ARG A 65 18.653 3.235 11.162 1.00 4.34 C ATOM 1073 C ARG A 65 18.300 4.617 11.717 1.00 42.05 C ATOM 1074 O ARG A 65 17.692 4.726 12.780 1.00 53.31 O ATOM 1075 CB ARG A 65 19.843 2.670 11.941 1.00 35.35 C ATOM 1076 CG ARG A 65 19.516 2.554 13.432 1.00 64.01 C ATOM 1077 CD ARG A 65 20.249 1.368 14.063 1.00 1.30 C ATOM 1078 NE ARG A 65 21.628 1.284 13.531 1.00 34.10 N ATOM 1079 CZ ARG A 65 22.452 0.233 13.728 1.00 52.02 C ATOM 1080 NH1 ARG A 65 22.043 -0.833 14.447 1.00 34.35 N ATOM 1081 NH2 ARG A 65 23.664 0.264 13.206 1.00 30.21 N ATOM 0 H ARG A 65 19.857 2.937 9.473 1.00 31.40 H new ATOM 0 HA ARG A 65 17.803 2.564 11.281 1.00 4.34 H new ATOM 0 HB2 ARG A 65 20.109 1.690 11.546 1.00 35.35 H new ATOM 0 HB3 ARG A 65 20.711 3.315 11.804 1.00 35.35 H new ATOM 0 HG2 ARG A 65 19.799 3.474 13.943 1.00 64.01 H new ATOM 0 HG3 ARG A 65 18.441 2.434 13.564 1.00 64.01 H new ATOM 0 HD2 ARG A 65 20.275 1.481 15.147 1.00 1.30 H new ATOM 0 HD3 ARG A 65 19.712 0.443 13.851 1.00 1.30 H new ATOM 0 HE ARG A 65 21.977 2.069 12.981 1.00 34.10 H new ATOM 0 HH11 ARG A 65 21.105 -0.849 14.847 1.00 34.35 H new ATOM 0 HH12 ARG A 65 22.672 -1.623 14.591 1.00 34.35 H new ATOM 0 HH21 ARG A 65 23.965 1.074 12.664 1.00 30.21 H new ATOM 0 HH22 ARG A 65 24.299 -0.522 13.345 1.00 30.21 H new ATOM 1094 N LYS A 66 18.697 5.638 10.971 1.00 60.33 N ATOM 1095 CA LYS A 66 18.430 7.008 11.374 1.00 30.21 C ATOM 1096 C LYS A 66 16.988 7.369 11.013 1.00 52.31 C ATOM 1097 O LYS A 66 16.241 7.872 11.852 1.00 63.54 O ATOM 1098 CB LYS A 66 19.470 7.956 10.774 1.00 63.52 C ATOM 1099 CG LYS A 66 20.641 8.166 11.737 1.00 73.23 C ATOM 1100 CD LYS A 66 21.839 7.300 11.341 1.00 53.41 C ATOM 1101 CE LYS A 66 23.142 7.882 11.892 1.00 14.54 C ATOM 1102 NZ LYS A 66 22.890 8.610 13.156 1.00 10.52 N ATOM 0 H LYS A 66 19.202 5.543 10.090 1.00 60.33 H new ATOM 0 HA LYS A 66 18.524 7.112 12.455 1.00 30.21 H new ATOM 0 HB2 LYS A 66 19.838 7.549 9.832 1.00 63.52 H new ATOM 0 HB3 LYS A 66 19.005 8.915 10.547 1.00 63.52 H new ATOM 0 HG2 LYS A 66 20.932 9.217 11.738 1.00 73.23 H new ATOM 0 HG3 LYS A 66 20.330 7.920 12.752 1.00 73.23 H new ATOM 0 HD2 LYS A 66 21.701 6.287 11.719 1.00 53.41 H new ATOM 0 HD3 LYS A 66 21.898 7.230 10.255 1.00 53.41 H new ATOM 0 HE2 LYS A 66 23.861 7.081 12.064 1.00 14.54 H new ATOM 0 HE3 LYS A 66 23.585 8.556 11.159 1.00 14.54 H new ATOM 0 HZ1 LYS A 66 23.773 8.674 13.702 1.00 10.52 H new ATOM 0 HZ2 LYS A 66 22.545 9.568 12.942 1.00 10.52 H new ATOM 0 HZ3 LYS A 66 22.175 8.101 13.713 1.00 10.52 H new ATOM 1115 N ARG A 67 16.639 7.100 9.763 1.00 22.35 N ATOM 1116 CA ARG A 67 15.300 7.390 9.281 1.00 53.31 C ATOM 1117 C ARG A 67 14.255 6.737 10.188 1.00 23.12 C ATOM 1118 O ARG A 67 13.129 7.220 10.292 1.00 74.55 O ATOM 1119 CB ARG A 67 15.109 6.886 7.849 1.00 14.02 C ATOM 1120 CG ARG A 67 16.051 7.608 6.883 1.00 32.44 C ATOM 1121 CD ARG A 67 15.399 8.875 6.326 1.00 61.54 C ATOM 1122 NE ARG A 67 15.618 10.007 7.253 1.00 32.33 N ATOM 1123 CZ ARG A 67 14.975 11.191 7.167 1.00 22.22 C ATOM 1124 NH1 ARG A 67 14.067 11.408 6.193 1.00 74.14 N ATOM 1125 NH2 ARG A 67 15.249 12.133 8.050 1.00 13.11 N ATOM 0 H ARG A 67 17.261 6.684 9.070 1.00 22.35 H new ATOM 0 HA ARG A 67 15.171 8.472 9.294 1.00 53.31 H new ATOM 0 HB2 ARG A 67 15.295 5.813 7.810 1.00 14.02 H new ATOM 0 HB3 ARG A 67 14.076 7.042 7.540 1.00 14.02 H new ATOM 0 HG2 ARG A 67 16.977 7.867 7.397 1.00 32.44 H new ATOM 0 HG3 ARG A 67 16.318 6.941 6.063 1.00 32.44 H new ATOM 0 HD2 ARG A 67 15.818 9.109 5.347 1.00 61.54 H new ATOM 0 HD3 ARG A 67 14.331 8.712 6.184 1.00 61.54 H new ATOM 0 HE ARG A 67 16.297 9.885 8.004 1.00 32.33 H new ATOM 0 HH11 ARG A 67 13.862 10.675 5.514 1.00 74.14 H new ATOM 0 HH12 ARG A 67 13.586 12.305 6.135 1.00 74.14 H new ATOM 0 HH21 ARG A 67 15.937 11.961 8.783 1.00 13.11 H new ATOM 0 HH22 ARG A 67 14.772 13.033 8.000 1.00 13.11 H new ATOM 1138 N ILE A 68 14.667 5.649 10.822 1.00 33.15 N ATOM 1139 CA ILE A 68 13.781 4.924 11.718 1.00 54.34 C ATOM 1140 C ILE A 68 14.226 5.152 13.164 1.00 71.15 C ATOM 1141 O ILE A 68 13.477 4.872 14.099 1.00 45.13 O ATOM 1142 CB ILE A 68 13.709 3.448 11.321 1.00 13.33 C ATOM 1143 CG1 ILE A 68 15.019 2.988 10.680 1.00 43.33 C ATOM 1144 CG2 ILE A 68 12.503 3.181 10.418 1.00 43.35 C ATOM 1145 CD1 ILE A 68 15.116 1.461 10.663 1.00 14.44 C ATOM 0 H ILE A 68 15.602 5.252 10.733 1.00 33.15 H new ATOM 0 HA ILE A 68 12.762 5.302 11.635 1.00 54.34 H new ATOM 0 HB ILE A 68 13.570 2.857 12.226 1.00 13.33 H new ATOM 0 HG12 ILE A 68 15.084 3.371 9.662 1.00 43.33 H new ATOM 0 HG13 ILE A 68 15.863 3.403 11.231 1.00 43.33 H new ATOM 0 HG21 ILE A 68 12.475 2.125 10.151 1.00 43.35 H new ATOM 0 HG22 ILE A 68 11.587 3.446 10.946 1.00 43.35 H new ATOM 0 HG23 ILE A 68 12.586 3.782 9.513 1.00 43.35 H new ATOM 0 HD11 ILE A 68 16.057 1.161 10.202 1.00 14.44 H new ATOM 0 HD12 ILE A 68 15.076 1.082 11.684 1.00 14.44 H new ATOM 0 HD13 ILE A 68 14.284 1.050 10.091 1.00 14.44 H new ATOM 1157 N MET A 69 15.443 5.657 13.302 1.00 52.54 N ATOM 1158 CA MET A 69 15.997 5.926 14.618 1.00 73.11 C ATOM 1159 C MET A 69 15.661 4.797 15.595 1.00 50.13 C ATOM 1160 O MET A 69 15.170 5.048 16.694 1.00 55.40 O ATOM 1161 CB MET A 69 15.434 7.246 15.149 1.00 31.54 C ATOM 1162 CG MET A 69 13.908 7.189 15.252 1.00 23.04 C ATOM 1163 SD MET A 69 13.301 8.626 16.121 1.00 64.43 S ATOM 1164 CE MET A 69 13.873 9.914 15.026 1.00 41.14 C ATOM 0 H MET A 69 16.061 5.887 12.524 1.00 52.54 H new ATOM 0 HA MET A 69 17.081 5.993 14.529 1.00 73.11 H new ATOM 0 HB2 MET A 69 15.861 7.459 16.129 1.00 31.54 H new ATOM 0 HB3 MET A 69 15.727 8.062 14.489 1.00 31.54 H new ATOM 0 HG2 MET A 69 13.469 7.144 14.255 1.00 23.04 H new ATOM 0 HG3 MET A 69 13.604 6.282 15.775 1.00 23.04 H new ATOM 0 HE1 MET A 69 13.277 10.814 15.180 1.00 41.14 H new ATOM 0 HE2 MET A 69 14.920 10.132 15.237 1.00 41.14 H new ATOM 0 HE3 MET A 69 13.772 9.584 13.992 1.00 41.14 H new ATOM 1174 N LEU A 70 15.940 3.578 15.158 1.00 34.43 N ATOM 1175 CA LEU A 70 15.673 2.409 15.980 1.00 3.54 C ATOM 1176 C LEU A 70 16.555 2.459 17.230 1.00 15.12 C ATOM 1177 O LEU A 70 17.553 3.176 17.262 1.00 42.42 O ATOM 1178 CB LEU A 70 15.840 1.128 15.161 1.00 51.21 C ATOM 1179 CG LEU A 70 14.577 0.599 14.479 1.00 55.32 C ATOM 1180 CD1 LEU A 70 14.930 -0.322 13.309 1.00 14.43 C ATOM 1181 CD2 LEU A 70 13.654 -0.085 15.489 1.00 34.31 C ATOM 0 H LEU A 70 16.348 3.374 14.246 1.00 34.43 H new ATOM 0 HA LEU A 70 14.637 2.410 16.319 1.00 3.54 H new ATOM 0 HB2 LEU A 70 16.595 1.306 14.395 1.00 51.21 H new ATOM 0 HB3 LEU A 70 16.228 0.349 15.817 1.00 51.21 H new ATOM 0 HG LEU A 70 14.031 1.447 14.067 1.00 55.32 H new ATOM 0 HD11 LEU A 70 14.014 -0.684 12.842 1.00 14.43 H new ATOM 0 HD12 LEU A 70 15.518 0.230 12.576 1.00 14.43 H new ATOM 0 HD13 LEU A 70 15.510 -1.169 13.675 1.00 14.43 H new ATOM 0 HD21 LEU A 70 12.764 -0.452 14.978 1.00 34.31 H new ATOM 0 HD22 LEU A 70 14.177 -0.922 15.952 1.00 34.31 H new ATOM 0 HD23 LEU A 70 13.362 0.630 16.258 1.00 34.31 H new ATOM 1193 N PRO A 71 16.142 1.667 18.256 1.00 63.01 N ATOM 1194 CA PRO A 71 16.883 1.614 19.505 1.00 60.12 C ATOM 1195 C PRO A 71 18.168 0.799 19.346 1.00 21.20 C ATOM 1196 O PRO A 71 18.293 0.005 18.415 1.00 51.13 O ATOM 1197 CB PRO A 71 15.916 1.009 20.510 1.00 4.31 C ATOM 1198 CG PRO A 71 14.839 0.320 19.689 1.00 15.13 C ATOM 1199 CD PRO A 71 14.965 0.804 18.254 1.00 14.10 C ATOM 0 HA PRO A 71 17.219 2.596 19.837 1.00 60.12 H new ATOM 0 HB2 PRO A 71 16.424 0.299 21.162 1.00 4.31 H new ATOM 0 HB3 PRO A 71 15.486 1.779 21.151 1.00 4.31 H new ATOM 0 HG2 PRO A 71 14.956 -0.763 19.738 1.00 15.13 H new ATOM 0 HG3 PRO A 71 13.850 0.552 20.085 1.00 15.13 H new ATOM 0 HD2 PRO A 71 15.087 -0.031 17.564 1.00 14.10 H new ATOM 0 HD3 PRO A 71 14.075 1.349 17.940 1.00 14.10 H new ATOM 1207 N PRO A 72 19.115 1.029 20.294 1.00 24.33 N ATOM 1208 CA PRO A 72 20.386 0.325 20.269 1.00 63.13 C ATOM 1209 C PRO A 72 20.221 -1.123 20.736 1.00 51.34 C ATOM 1210 O PRO A 72 21.191 -1.877 20.786 1.00 60.34 O ATOM 1211 CB PRO A 72 21.304 1.138 21.167 1.00 22.42 C ATOM 1212 CG PRO A 72 20.392 1.998 22.026 1.00 31.35 C ATOM 1213 CD PRO A 72 19.002 1.961 21.412 1.00 42.42 C ATOM 0 HA PRO A 72 20.802 0.245 19.265 1.00 63.13 H new ATOM 0 HB2 PRO A 72 21.923 0.487 21.785 1.00 22.42 H new ATOM 0 HB3 PRO A 72 21.981 1.755 20.577 1.00 22.42 H new ATOM 0 HG2 PRO A 72 20.367 1.624 23.049 1.00 31.35 H new ATOM 0 HG3 PRO A 72 20.763 3.022 22.070 1.00 31.35 H new ATOM 0 HD2 PRO A 72 18.259 1.624 22.135 1.00 42.42 H new ATOM 0 HD3 PRO A 72 18.692 2.950 21.073 1.00 42.42 H new ATOM 1221 N GLU A 73 18.985 -1.467 21.065 1.00 13.14 N ATOM 1222 CA GLU A 73 18.680 -2.811 21.526 1.00 13.23 C ATOM 1223 C GLU A 73 18.121 -3.652 20.377 1.00 72.00 C ATOM 1224 O GLU A 73 18.150 -4.881 20.431 1.00 11.50 O ATOM 1225 CB GLU A 73 17.706 -2.778 22.706 1.00 72.13 C ATOM 1226 CG GLU A 73 16.280 -2.487 22.232 1.00 64.20 C ATOM 1227 CD GLU A 73 15.387 -2.075 23.403 1.00 13.54 C ATOM 1228 OE1 GLU A 73 15.574 -2.562 24.528 1.00 64.10 O ATOM 1229 OE2 GLU A 73 14.471 -1.214 23.113 1.00 14.24 O ATOM 0 H GLU A 73 18.183 -0.839 21.022 1.00 13.14 H new ATOM 0 HA GLU A 73 19.604 -3.274 21.873 1.00 13.23 H new ATOM 0 HB2 GLU A 73 17.731 -3.734 23.230 1.00 72.13 H new ATOM 0 HB3 GLU A 73 18.019 -2.015 23.419 1.00 72.13 H new ATOM 0 HG2 GLU A 73 16.296 -1.693 21.485 1.00 64.20 H new ATOM 0 HG3 GLU A 73 15.866 -3.372 21.748 1.00 64.20 H new ATOM 1237 N LYS A 74 17.625 -2.957 19.364 1.00 41.12 N ATOM 1238 CA LYS A 74 17.060 -3.625 18.203 1.00 4.34 C ATOM 1239 C LYS A 74 18.183 -3.970 17.222 1.00 12.45 C ATOM 1240 O LYS A 74 19.326 -3.556 17.411 1.00 32.54 O ATOM 1241 CB LYS A 74 15.945 -2.778 17.588 1.00 14.31 C ATOM 1242 CG LYS A 74 14.577 -3.188 18.139 1.00 5.11 C ATOM 1243 CD LYS A 74 13.480 -2.982 17.093 1.00 43.41 C ATOM 1244 CE LYS A 74 12.383 -4.039 17.233 1.00 65.11 C ATOM 1245 NZ LYS A 74 12.975 -5.394 17.300 1.00 4.15 N ATOM 0 H LYS A 74 17.602 -1.938 19.323 1.00 41.12 H new ATOM 0 HA LYS A 74 16.591 -4.565 18.495 1.00 4.34 H new ATOM 0 HB2 LYS A 74 16.125 -1.724 17.800 1.00 14.31 H new ATOM 0 HB3 LYS A 74 15.953 -2.891 16.504 1.00 14.31 H new ATOM 0 HG2 LYS A 74 14.602 -4.234 18.443 1.00 5.11 H new ATOM 0 HG3 LYS A 74 14.350 -2.602 19.030 1.00 5.11 H new ATOM 0 HD2 LYS A 74 13.048 -1.988 17.205 1.00 43.41 H new ATOM 0 HD3 LYS A 74 13.912 -3.031 16.093 1.00 43.41 H new ATOM 0 HE2 LYS A 74 11.797 -3.847 18.132 1.00 65.11 H new ATOM 0 HE3 LYS A 74 11.699 -3.976 16.387 1.00 65.11 H new ATOM 0 HZ1 LYS A 74 12.324 -6.079 16.866 1.00 4.15 H new ATOM 0 HZ2 LYS A 74 13.880 -5.403 16.788 1.00 4.15 H new ATOM 0 HZ3 LYS A 74 13.137 -5.653 18.294 1.00 4.15 H new ATOM 1258 N ALA A 75 17.817 -4.723 16.196 1.00 23.40 N ATOM 1259 CA ALA A 75 18.779 -5.129 15.185 1.00 2.41 C ATOM 1260 C ALA A 75 18.100 -5.133 13.814 1.00 4.20 C ATOM 1261 O ALA A 75 17.228 -5.960 13.552 1.00 42.42 O ATOM 1262 CB ALA A 75 19.361 -6.495 15.552 1.00 34.42 C ATOM 0 H ALA A 75 16.868 -5.063 16.042 1.00 23.40 H new ATOM 0 HA ALA A 75 19.609 -4.424 15.140 1.00 2.41 H new ATOM 0 HB1 ALA A 75 20.082 -6.799 14.793 1.00 34.42 H new ATOM 0 HB2 ALA A 75 19.858 -6.431 16.520 1.00 34.42 H new ATOM 0 HB3 ALA A 75 18.558 -7.230 15.604 1.00 34.42 H new ATOM 1268 N ILE A 76 18.526 -4.200 12.975 1.00 3.45 N ATOM 1269 CA ILE A 76 17.970 -4.085 11.638 1.00 64.42 C ATOM 1270 C ILE A 76 18.957 -4.675 10.628 1.00 21.11 C ATOM 1271 O ILE A 76 20.153 -4.761 10.901 1.00 3.02 O ATOM 1272 CB ILE A 76 17.580 -2.636 11.342 1.00 42.12 C ATOM 1273 CG1 ILE A 76 16.433 -2.572 10.332 1.00 74.32 C ATOM 1274 CG2 ILE A 76 18.793 -1.824 10.883 1.00 63.31 C ATOM 1275 CD1 ILE A 76 16.217 -1.141 9.836 1.00 42.00 C ATOM 0 H ILE A 76 19.250 -3.516 13.196 1.00 3.45 H new ATOM 0 HA ILE A 76 17.048 -4.661 11.558 1.00 64.42 H new ATOM 0 HB ILE A 76 17.221 -2.184 12.267 1.00 42.12 H new ATOM 0 HG12 ILE A 76 16.652 -3.224 9.487 1.00 74.32 H new ATOM 0 HG13 ILE A 76 15.517 -2.943 10.792 1.00 74.32 H new ATOM 0 HG21 ILE A 76 18.488 -0.798 10.679 1.00 63.31 H new ATOM 0 HG22 ILE A 76 19.551 -1.828 11.666 1.00 63.31 H new ATOM 0 HG23 ILE A 76 19.205 -2.267 9.976 1.00 63.31 H new ATOM 0 HD11 ILE A 76 15.396 -1.124 9.119 1.00 42.00 H new ATOM 0 HD12 ILE A 76 15.975 -0.496 10.681 1.00 42.00 H new ATOM 0 HD13 ILE A 76 17.126 -0.782 9.354 1.00 42.00 H new ATOM 1287 N PHE A 77 18.419 -5.066 9.482 1.00 30.34 N ATOM 1288 CA PHE A 77 19.237 -5.646 8.430 1.00 1.55 C ATOM 1289 C PHE A 77 18.844 -5.089 7.061 1.00 41.44 C ATOM 1290 O PHE A 77 17.806 -4.444 6.923 1.00 13.45 O ATOM 1291 CB PHE A 77 18.984 -7.154 8.446 1.00 34.22 C ATOM 1292 CG PHE A 77 19.269 -7.819 9.794 1.00 20.14 C ATOM 1293 CD1 PHE A 77 18.346 -7.758 10.792 1.00 44.42 C ATOM 1294 CD2 PHE A 77 20.445 -8.471 9.996 1.00 62.45 C ATOM 1295 CE1 PHE A 77 18.611 -8.375 12.043 1.00 42.50 C ATOM 1296 CE2 PHE A 77 20.710 -9.088 11.247 1.00 61.42 C ATOM 1297 CZ PHE A 77 19.787 -9.027 12.244 1.00 5.11 C ATOM 0 H PHE A 77 17.426 -4.993 9.259 1.00 30.34 H new ATOM 0 HA PHE A 77 20.287 -5.409 8.601 1.00 1.55 H new ATOM 0 HB2 PHE A 77 17.945 -7.341 8.173 1.00 34.22 H new ATOM 0 HB3 PHE A 77 19.604 -7.624 7.682 1.00 34.22 H new ATOM 0 HD1 PHE A 77 17.412 -7.240 10.632 1.00 44.42 H new ATOM 0 HD2 PHE A 77 21.178 -8.520 9.204 1.00 62.45 H new ATOM 0 HE1 PHE A 77 17.878 -8.326 12.835 1.00 42.50 H new ATOM 0 HE2 PHE A 77 21.644 -9.606 11.407 1.00 61.42 H new ATOM 0 HZ PHE A 77 19.988 -9.497 13.196 1.00 5.11 H new ATOM 1307 N ILE A 78 19.695 -5.358 6.082 1.00 70.15 N ATOM 1308 CA ILE A 78 19.450 -4.892 4.727 1.00 34.03 C ATOM 1309 C ILE A 78 19.451 -6.088 3.773 1.00 52.21 C ATOM 1310 O ILE A 78 20.334 -6.941 3.842 1.00 44.20 O ATOM 1311 CB ILE A 78 20.452 -3.800 4.347 1.00 73.34 C ATOM 1312 CG1 ILE A 78 20.778 -2.912 5.549 1.00 22.31 C ATOM 1313 CG2 ILE A 78 19.948 -2.986 3.153 1.00 64.32 C ATOM 1314 CD1 ILE A 78 19.536 -2.158 6.027 1.00 33.22 C ATOM 0 H ILE A 78 20.555 -5.893 6.200 1.00 70.15 H new ATOM 0 HA ILE A 78 18.466 -4.428 4.655 1.00 34.03 H new ATOM 0 HB ILE A 78 21.381 -4.280 4.041 1.00 73.34 H new ATOM 0 HG12 ILE A 78 21.171 -3.523 6.361 1.00 22.31 H new ATOM 0 HG13 ILE A 78 21.558 -2.200 5.279 1.00 22.31 H new ATOM 0 HG21 ILE A 78 20.678 -2.216 2.903 1.00 64.32 H new ATOM 0 HG22 ILE A 78 19.808 -3.645 2.296 1.00 64.32 H new ATOM 0 HG23 ILE A 78 18.998 -2.516 3.408 1.00 64.32 H new ATOM 0 HD11 ILE A 78 19.796 -1.534 6.882 1.00 33.22 H new ATOM 0 HD12 ILE A 78 19.159 -1.529 5.220 1.00 33.22 H new ATOM 0 HD13 ILE A 78 18.767 -2.873 6.319 1.00 33.22 H new ATOM 1326 N PHE A 79 18.451 -6.112 2.904 1.00 11.21 N ATOM 1327 CA PHE A 79 18.325 -7.189 1.937 1.00 45.01 C ATOM 1328 C PHE A 79 18.346 -6.647 0.506 1.00 13.54 C ATOM 1329 O PHE A 79 17.943 -5.510 0.264 1.00 75.01 O ATOM 1330 CB PHE A 79 16.978 -7.866 2.194 1.00 72.21 C ATOM 1331 CG PHE A 79 16.683 -8.123 3.673 1.00 15.11 C ATOM 1332 CD1 PHE A 79 17.702 -8.380 4.535 1.00 22.14 C ATOM 1333 CD2 PHE A 79 15.400 -8.094 4.126 1.00 42.25 C ATOM 1334 CE1 PHE A 79 17.428 -8.618 5.908 1.00 21.23 C ATOM 1335 CE2 PHE A 79 15.126 -8.332 5.498 1.00 2.02 C ATOM 1336 CZ PHE A 79 16.146 -8.589 6.361 1.00 72.13 C ATOM 0 H PHE A 79 17.720 -5.402 2.850 1.00 11.21 H new ATOM 0 HA PHE A 79 19.157 -7.885 2.045 1.00 45.01 H new ATOM 0 HB2 PHE A 79 16.185 -7.244 1.779 1.00 72.21 H new ATOM 0 HB3 PHE A 79 16.952 -8.815 1.659 1.00 72.21 H new ATOM 0 HD1 PHE A 79 18.720 -8.403 4.176 1.00 22.14 H new ATOM 0 HD2 PHE A 79 14.590 -7.890 3.441 1.00 42.25 H new ATOM 0 HE1 PHE A 79 18.238 -8.822 6.593 1.00 21.23 H new ATOM 0 HE2 PHE A 79 14.108 -8.309 5.857 1.00 2.02 H new ATOM 0 HZ PHE A 79 15.938 -8.770 7.405 1.00 72.13 H new ATOM 1346 N VAL A 80 18.819 -7.485 -0.404 1.00 2.13 N ATOM 1347 CA VAL A 80 18.897 -7.104 -1.804 1.00 2.23 C ATOM 1348 C VAL A 80 18.616 -8.328 -2.677 1.00 43.15 C ATOM 1349 O VAL A 80 19.306 -9.341 -2.573 1.00 33.23 O ATOM 1350 CB VAL A 80 20.254 -6.459 -2.096 1.00 31.52 C ATOM 1351 CG1 VAL A 80 20.761 -5.676 -0.884 1.00 11.34 C ATOM 1352 CG2 VAL A 80 21.276 -7.509 -2.537 1.00 32.33 C ATOM 0 H VAL A 80 19.152 -8.427 -0.199 1.00 2.13 H new ATOM 0 HA VAL A 80 18.140 -6.356 -2.040 1.00 2.23 H new ATOM 0 HB VAL A 80 20.121 -5.755 -2.917 1.00 31.52 H new ATOM 0 HG11 VAL A 80 21.727 -5.228 -1.118 1.00 11.34 H new ATOM 0 HG12 VAL A 80 20.048 -4.891 -0.634 1.00 11.34 H new ATOM 0 HG13 VAL A 80 20.871 -6.351 -0.035 1.00 11.34 H new ATOM 0 HG21 VAL A 80 22.232 -7.025 -2.738 1.00 32.33 H new ATOM 0 HG22 VAL A 80 21.403 -8.248 -1.746 1.00 32.33 H new ATOM 0 HG23 VAL A 80 20.922 -8.004 -3.442 1.00 32.33 H new ATOM 1362 N ASN A 81 17.603 -8.194 -3.520 1.00 15.21 N ATOM 1363 CA ASN A 81 17.222 -9.276 -4.411 1.00 71.33 C ATOM 1364 C ASN A 81 16.827 -10.499 -3.581 1.00 75.44 C ATOM 1365 O ASN A 81 17.134 -11.631 -3.952 1.00 22.21 O ATOM 1366 CB ASN A 81 18.386 -9.677 -5.319 1.00 62.42 C ATOM 1367 CG ASN A 81 18.539 -8.694 -6.481 1.00 44.11 C ATOM 1368 OD1 ASN A 81 19.081 -7.529 -6.136 1.00 13.23 O flip ATOM 1369 ND2 ASN A 81 18.189 -8.974 -7.616 1.00 65.43 N flip ATOM 0 H ASN A 81 17.034 -7.352 -3.605 1.00 15.21 H new ATOM 0 HA ASN A 81 16.389 -8.931 -5.023 1.00 71.33 H new ATOM 0 HB2 ASN A 81 19.309 -9.708 -4.740 1.00 62.42 H new ATOM 0 HB3 ASN A 81 18.219 -10.682 -5.707 1.00 62.42 H new ATOM 0 HD21 ASN A 81 17.780 -9.887 -7.813 1.00 65.43 H new ATOM 0 HD22 ASN A 81 18.306 -8.295 -8.368 1.00 65.43 H new ATOM 1376 N ASP A 82 16.150 -10.230 -2.474 1.00 65.03 N ATOM 1377 CA ASP A 82 15.710 -11.295 -1.589 1.00 12.52 C ATOM 1378 C ASP A 82 16.932 -11.997 -0.995 1.00 64.23 C ATOM 1379 O ASP A 82 16.934 -13.217 -0.833 1.00 43.45 O ATOM 1380 CB ASP A 82 14.887 -12.337 -2.348 1.00 63.41 C ATOM 1381 CG ASP A 82 14.082 -11.791 -3.529 1.00 63.41 C ATOM 1382 OD1 ASP A 82 13.856 -10.577 -3.641 1.00 62.40 O ATOM 1383 OD2 ASP A 82 13.675 -12.682 -4.369 1.00 15.40 O ATOM 0 H ASP A 82 15.896 -9.290 -2.170 1.00 65.03 H new ATOM 0 HA ASP A 82 15.095 -10.851 -0.807 1.00 12.52 H new ATOM 0 HB2 ASP A 82 15.560 -13.113 -2.714 1.00 63.41 H new ATOM 0 HB3 ASP A 82 14.200 -12.814 -1.649 1.00 63.41 H new ATOM 1389 N THR A 83 17.943 -11.198 -0.687 1.00 51.20 N ATOM 1390 CA THR A 83 19.169 -11.728 -0.115 1.00 10.20 C ATOM 1391 C THR A 83 19.601 -10.889 1.090 1.00 64.45 C ATOM 1392 O THR A 83 18.878 -9.991 1.517 1.00 42.34 O ATOM 1393 CB THR A 83 20.221 -11.786 -1.224 1.00 24.41 C ATOM 1394 OG1 THR A 83 21.053 -12.883 -0.855 1.00 63.04 O ATOM 1395 CG2 THR A 83 21.163 -10.581 -1.202 1.00 0.42 C ATOM 0 H THR A 83 17.938 -10.187 -0.823 1.00 51.20 H new ATOM 0 HA THR A 83 19.023 -12.738 0.268 1.00 10.20 H new ATOM 0 HB THR A 83 19.724 -11.840 -2.193 1.00 24.41 H new ATOM 0 HG1 THR A 83 21.763 -12.994 -1.522 1.00 63.04 H new ATOM 0 HG21 THR A 83 21.890 -10.672 -2.009 1.00 0.42 H new ATOM 0 HG22 THR A 83 20.586 -9.666 -1.335 1.00 0.42 H new ATOM 0 HG23 THR A 83 21.685 -10.545 -0.246 1.00 0.42 H new ATOM 1403 N LEU A 84 20.779 -11.213 1.603 1.00 31.23 N ATOM 1404 CA LEU A 84 21.316 -10.501 2.750 1.00 24.12 C ATOM 1405 C LEU A 84 22.827 -10.331 2.577 1.00 21.24 C ATOM 1406 O LEU A 84 23.601 -11.210 2.954 1.00 42.22 O ATOM 1407 CB LEU A 84 20.921 -11.204 4.050 1.00 3.15 C ATOM 1408 CG LEU A 84 20.887 -10.327 5.304 1.00 44.44 C ATOM 1409 CD1 LEU A 84 19.704 -10.696 6.200 1.00 74.04 C ATOM 1410 CD2 LEU A 84 22.218 -10.393 6.056 1.00 61.14 C ATOM 0 H LEU A 84 21.376 -11.959 1.246 1.00 31.23 H new ATOM 0 HA LEU A 84 20.887 -9.501 2.813 1.00 24.12 H new ATOM 0 HB2 LEU A 84 19.935 -11.648 3.914 1.00 3.15 H new ATOM 0 HB3 LEU A 84 21.618 -12.024 4.223 1.00 3.15 H new ATOM 0 HG LEU A 84 20.744 -9.292 4.993 1.00 44.44 H new ATOM 0 HD11 LEU A 84 19.704 -10.058 7.084 1.00 74.04 H new ATOM 0 HD12 LEU A 84 18.773 -10.555 5.650 1.00 74.04 H new ATOM 0 HD13 LEU A 84 19.790 -11.739 6.506 1.00 74.04 H new ATOM 0 HD21 LEU A 84 22.167 -9.761 6.943 1.00 61.14 H new ATOM 0 HD22 LEU A 84 22.416 -11.422 6.355 1.00 61.14 H new ATOM 0 HD23 LEU A 84 23.020 -10.043 5.407 1.00 61.14 H new ATOM 1422 N PRO A 85 23.211 -9.165 1.993 1.00 42.12 N ATOM 1423 CA PRO A 85 24.615 -8.869 1.766 1.00 43.45 C ATOM 1424 C PRO A 85 25.313 -8.484 3.072 1.00 51.22 C ATOM 1425 O PRO A 85 24.658 -8.098 4.039 1.00 4.10 O ATOM 1426 CB PRO A 85 24.620 -7.749 0.738 1.00 72.05 C ATOM 1427 CG PRO A 85 23.225 -7.145 0.773 1.00 5.45 C ATOM 1428 CD PRO A 85 22.322 -8.101 1.534 1.00 22.43 C ATOM 0 HA PRO A 85 25.172 -9.731 1.399 1.00 43.45 H new ATOM 0 HB2 PRO A 85 25.376 -7.001 0.979 1.00 72.05 H new ATOM 0 HB3 PRO A 85 24.855 -8.131 -0.255 1.00 72.05 H new ATOM 0 HG2 PRO A 85 23.244 -6.169 1.259 1.00 5.45 H new ATOM 0 HG3 PRO A 85 22.851 -6.990 -0.239 1.00 5.45 H new ATOM 0 HD2 PRO A 85 21.835 -7.603 2.372 1.00 22.43 H new ATOM 0 HD3 PRO A 85 21.532 -8.494 0.894 1.00 22.43 H new ATOM 1436 N PRO A 86 26.667 -8.605 3.057 1.00 24.24 N ATOM 1437 CA PRO A 86 27.461 -8.274 4.229 1.00 70.43 C ATOM 1438 C PRO A 86 27.564 -6.759 4.411 1.00 42.20 C ATOM 1439 O PRO A 86 27.245 -5.997 3.499 1.00 21.23 O ATOM 1440 CB PRO A 86 28.808 -8.937 3.991 1.00 20.33 C ATOM 1441 CG PRO A 86 28.876 -9.220 2.499 1.00 4.23 C ATOM 1442 CD PRO A 86 27.476 -9.059 1.930 1.00 43.01 C ATOM 0 HA PRO A 86 27.014 -8.633 5.156 1.00 70.43 H new ATOM 0 HB2 PRO A 86 29.624 -8.285 4.302 1.00 20.33 H new ATOM 0 HB3 PRO A 86 28.897 -9.858 4.568 1.00 20.33 H new ATOM 0 HG2 PRO A 86 29.568 -8.533 2.011 1.00 4.23 H new ATOM 0 HG3 PRO A 86 29.248 -10.229 2.318 1.00 4.23 H new ATOM 0 HD2 PRO A 86 27.461 -8.335 1.115 1.00 43.01 H new ATOM 0 HD3 PRO A 86 27.102 -10.000 1.528 1.00 43.01 H new ATOM 1450 N THR A 87 28.011 -6.366 5.595 1.00 64.43 N ATOM 1451 CA THR A 87 28.161 -4.955 5.908 1.00 31.42 C ATOM 1452 C THR A 87 29.459 -4.411 5.309 1.00 0.32 C ATOM 1453 O THR A 87 29.654 -3.198 5.240 1.00 71.25 O ATOM 1454 CB THR A 87 28.080 -4.798 7.428 1.00 53.42 C ATOM 1455 OG1 THR A 87 28.553 -3.475 7.665 1.00 13.52 O ATOM 1456 CG2 THR A 87 29.082 -5.689 8.164 1.00 60.24 C ATOM 0 H THR A 87 28.274 -7.000 6.349 1.00 64.43 H new ATOM 0 HA THR A 87 27.362 -4.363 5.462 1.00 31.42 H new ATOM 0 HB THR A 87 27.070 -5.034 7.764 1.00 53.42 H new ATOM 0 HG1 THR A 87 28.533 -3.288 8.627 1.00 13.52 H new ATOM 0 HG21 THR A 87 28.982 -5.538 9.239 1.00 60.24 H new ATOM 0 HG22 THR A 87 28.885 -6.734 7.924 1.00 60.24 H new ATOM 0 HG23 THR A 87 30.095 -5.431 7.854 1.00 60.24 H new ATOM 1464 N ALA A 88 30.313 -5.333 4.892 1.00 64.31 N ATOM 1465 CA ALA A 88 31.588 -4.961 4.301 1.00 14.21 C ATOM 1466 C ALA A 88 31.394 -4.697 2.806 1.00 21.24 C ATOM 1467 O ALA A 88 32.122 -3.903 2.213 1.00 11.43 O ATOM 1468 CB ALA A 88 32.617 -6.061 4.571 1.00 55.43 C ATOM 0 H ALA A 88 30.148 -6.338 4.951 1.00 64.31 H new ATOM 0 HA ALA A 88 31.967 -4.044 4.751 1.00 14.21 H new ATOM 0 HB1 ALA A 88 33.573 -5.782 4.128 1.00 55.43 H new ATOM 0 HB2 ALA A 88 32.739 -6.189 5.647 1.00 55.43 H new ATOM 0 HB3 ALA A 88 32.273 -6.997 4.131 1.00 55.43 H new ATOM 1474 N ALA A 89 30.409 -5.379 2.241 1.00 62.15 N ATOM 1475 CA ALA A 89 30.111 -5.229 0.826 1.00 12.44 C ATOM 1476 C ALA A 89 30.135 -3.743 0.460 1.00 63.43 C ATOM 1477 O ALA A 89 29.634 -2.907 1.209 1.00 13.12 O ATOM 1478 CB ALA A 89 28.763 -5.883 0.516 1.00 22.54 C ATOM 0 H ALA A 89 29.807 -6.037 2.737 1.00 62.15 H new ATOM 0 HA ALA A 89 30.865 -5.731 0.219 1.00 12.44 H new ATOM 0 HB1 ALA A 89 28.539 -5.771 -0.545 1.00 22.54 H new ATOM 0 HB2 ALA A 89 28.806 -6.943 0.767 1.00 22.54 H new ATOM 0 HB3 ALA A 89 27.981 -5.402 1.104 1.00 22.54 H new ATOM 1484 N LEU A 90 30.724 -3.461 -0.693 1.00 50.01 N ATOM 1485 CA LEU A 90 30.821 -2.091 -1.168 1.00 75.24 C ATOM 1486 C LEU A 90 29.568 -1.747 -1.976 1.00 53.22 C ATOM 1487 O LEU A 90 29.097 -2.556 -2.773 1.00 73.55 O ATOM 1488 CB LEU A 90 32.126 -1.882 -1.939 1.00 32.13 C ATOM 1489 CG LEU A 90 32.844 -0.553 -1.694 1.00 74.20 C ATOM 1490 CD1 LEU A 90 33.146 -0.359 -0.207 1.00 13.01 C ATOM 1491 CD2 LEU A 90 34.104 -0.445 -2.554 1.00 43.50 C ATOM 0 H LEU A 90 31.139 -4.158 -1.312 1.00 50.01 H new ATOM 0 HA LEU A 90 30.860 -1.398 -0.327 1.00 75.24 H new ATOM 0 HB2 LEU A 90 32.809 -2.693 -1.686 1.00 32.13 H new ATOM 0 HB3 LEU A 90 31.913 -1.966 -3.005 1.00 32.13 H new ATOM 0 HG LEU A 90 32.178 0.256 -1.995 1.00 74.20 H new ATOM 0 HD11 LEU A 90 33.656 0.593 -0.061 1.00 13.01 H new ATOM 0 HD12 LEU A 90 32.213 -0.361 0.357 1.00 13.01 H new ATOM 0 HD13 LEU A 90 33.784 -1.170 0.144 1.00 13.01 H new ATOM 0 HD21 LEU A 90 34.596 0.509 -2.361 1.00 43.50 H new ATOM 0 HD22 LEU A 90 34.784 -1.260 -2.307 1.00 43.50 H new ATOM 0 HD23 LEU A 90 33.832 -0.506 -3.608 1.00 43.50 H new ATOM 1503 N MET A 91 29.064 -0.544 -1.742 1.00 74.11 N ATOM 1504 CA MET A 91 27.875 -0.083 -2.438 1.00 54.51 C ATOM 1505 C MET A 91 28.156 0.121 -3.928 1.00 52.42 C ATOM 1506 O MET A 91 27.237 0.364 -4.709 1.00 43.34 O ATOM 1507 CB MET A 91 27.402 1.236 -1.822 1.00 40.05 C ATOM 1508 CG MET A 91 27.206 1.096 -0.312 1.00 14.35 C ATOM 1509 SD MET A 91 26.090 -0.253 0.037 1.00 55.52 S ATOM 1510 CE MET A 91 24.738 0.175 -1.048 1.00 44.04 C ATOM 0 H MET A 91 29.457 0.125 -1.080 1.00 74.11 H new ATOM 0 HA MET A 91 27.099 -0.842 -2.335 1.00 54.51 H new ATOM 0 HB2 MET A 91 28.132 2.019 -2.027 1.00 40.05 H new ATOM 0 HB3 MET A 91 26.465 1.544 -2.287 1.00 40.05 H new ATOM 0 HG2 MET A 91 28.166 0.919 0.173 1.00 14.35 H new ATOM 0 HG3 MET A 91 26.808 2.024 0.099 1.00 14.35 H new ATOM 0 HE1 MET A 91 23.817 -0.274 -0.676 1.00 44.04 H new ATOM 0 HE2 MET A 91 24.627 1.259 -1.080 1.00 44.04 H new ATOM 0 HE3 MET A 91 24.944 -0.199 -2.051 1.00 44.04 H new ATOM 1520 N SER A 92 29.430 0.015 -4.277 1.00 55.22 N ATOM 1521 CA SER A 92 29.843 0.185 -5.660 1.00 23.03 C ATOM 1522 C SER A 92 29.798 -1.160 -6.388 1.00 50.34 C ATOM 1523 O SER A 92 29.378 -1.231 -7.542 1.00 43.44 O ATOM 1524 CB SER A 92 31.247 0.787 -5.744 1.00 41.54 C ATOM 1525 OG SER A 92 32.255 -0.153 -5.383 1.00 75.30 O ATOM 0 H SER A 92 30.189 -0.186 -3.626 1.00 55.22 H new ATOM 0 HA SER A 92 29.151 0.875 -6.142 1.00 23.03 H new ATOM 0 HB2 SER A 92 31.429 1.142 -6.759 1.00 41.54 H new ATOM 0 HB3 SER A 92 31.309 1.655 -5.087 1.00 41.54 H new ATOM 0 HG SER A 92 33.137 0.213 -5.602 1.00 75.30 H new ATOM 1531 N ALA A 93 30.236 -2.193 -5.684 1.00 40.03 N ATOM 1532 CA ALA A 93 30.251 -3.531 -6.250 1.00 33.54 C ATOM 1533 C ALA A 93 28.845 -4.130 -6.168 1.00 62.31 C ATOM 1534 O ALA A 93 28.432 -4.876 -7.055 1.00 12.22 O ATOM 1535 CB ALA A 93 31.291 -4.383 -5.519 1.00 34.14 C ATOM 0 H ALA A 93 30.583 -2.131 -4.727 1.00 40.03 H new ATOM 0 HA ALA A 93 30.536 -3.500 -7.302 1.00 33.54 H new ATOM 0 HB1 ALA A 93 31.302 -5.387 -5.944 1.00 34.14 H new ATOM 0 HB2 ALA A 93 32.276 -3.930 -5.631 1.00 34.14 H new ATOM 0 HB3 ALA A 93 31.036 -4.439 -4.461 1.00 34.14 H new ATOM 1541 N ILE A 94 28.149 -3.782 -5.096 1.00 3.41 N ATOM 1542 CA ILE A 94 26.799 -4.275 -4.887 1.00 73.41 C ATOM 1543 C ILE A 94 25.882 -3.717 -5.978 1.00 20.34 C ATOM 1544 O ILE A 94 25.301 -4.475 -6.753 1.00 64.12 O ATOM 1545 CB ILE A 94 26.327 -3.960 -3.466 1.00 72.32 C ATOM 1546 CG1 ILE A 94 27.181 -4.693 -2.430 1.00 10.04 C ATOM 1547 CG2 ILE A 94 24.837 -4.268 -3.302 1.00 61.24 C ATOM 1548 CD1 ILE A 94 26.793 -6.171 -2.345 1.00 43.34 C ATOM 0 H ILE A 94 28.495 -3.164 -4.362 1.00 3.41 H new ATOM 0 HA ILE A 94 26.773 -5.361 -4.973 1.00 73.41 H new ATOM 0 HB ILE A 94 26.456 -2.892 -3.292 1.00 72.32 H new ATOM 0 HG12 ILE A 94 28.235 -4.605 -2.694 1.00 10.04 H new ATOM 0 HG13 ILE A 94 27.057 -4.224 -1.454 1.00 10.04 H new ATOM 0 HG21 ILE A 94 24.527 -4.035 -2.283 1.00 61.24 H new ATOM 0 HG22 ILE A 94 24.261 -3.664 -4.003 1.00 61.24 H new ATOM 0 HG23 ILE A 94 24.660 -5.325 -3.503 1.00 61.24 H new ATOM 0 HD11 ILE A 94 27.415 -6.668 -1.601 1.00 43.34 H new ATOM 0 HD12 ILE A 94 25.745 -6.256 -2.057 1.00 43.34 H new ATOM 0 HD13 ILE A 94 26.942 -6.643 -3.316 1.00 43.34 H new ATOM 1560 N TYR A 95 25.781 -2.397 -6.002 1.00 14.40 N ATOM 1561 CA TYR A 95 24.944 -1.728 -6.985 1.00 24.25 C ATOM 1562 C TYR A 95 25.399 -2.060 -8.407 1.00 55.25 C ATOM 1563 O TYR A 95 24.614 -1.968 -9.351 1.00 2.45 O ATOM 1564 CB TYR A 95 25.124 -0.228 -6.741 1.00 63.50 C ATOM 1565 CG TYR A 95 24.582 0.654 -7.867 1.00 43.11 C ATOM 1566 CD1 TYR A 95 25.219 0.679 -9.092 1.00 33.14 C ATOM 1567 CD2 TYR A 95 23.457 1.426 -7.659 1.00 22.54 C ATOM 1568 CE1 TYR A 95 24.709 1.510 -10.151 1.00 73.55 C ATOM 1569 CE2 TYR A 95 22.947 2.256 -8.718 1.00 41.25 C ATOM 1570 CZ TYR A 95 23.598 2.257 -9.913 1.00 0.24 C ATOM 1571 OH TYR A 95 23.116 3.042 -10.914 1.00 23.24 O ATOM 0 H TYR A 95 26.264 -1.772 -5.357 1.00 14.40 H new ATOM 0 HA TYR A 95 23.906 -2.046 -6.886 1.00 24.25 H new ATOM 0 HB2 TYR A 95 24.625 0.041 -5.810 1.00 63.50 H new ATOM 0 HB3 TYR A 95 26.185 -0.017 -6.606 1.00 63.50 H new ATOM 0 HD1 TYR A 95 26.099 0.075 -9.255 1.00 33.14 H new ATOM 0 HD2 TYR A 95 22.959 1.407 -6.701 1.00 22.54 H new ATOM 0 HE1 TYR A 95 25.198 1.540 -11.113 1.00 73.55 H new ATOM 0 HE2 TYR A 95 22.067 2.864 -8.568 1.00 41.25 H new ATOM 0 HH TYR A 95 22.319 2.624 -11.303 1.00 23.24 H new ATOM 1581 N GLN A 96 26.663 -2.439 -8.518 1.00 2.14 N ATOM 1582 CA GLN A 96 27.231 -2.785 -9.810 1.00 1.24 C ATOM 1583 C GLN A 96 26.548 -4.033 -10.373 1.00 2.33 C ATOM 1584 O GLN A 96 26.335 -4.137 -11.580 1.00 11.33 O ATOM 1585 CB GLN A 96 28.744 -2.987 -9.707 1.00 42.10 C ATOM 1586 CG GLN A 96 29.498 -1.801 -10.311 1.00 41.44 C ATOM 1587 CD GLN A 96 30.958 -1.788 -9.854 1.00 20.23 C ATOM 1588 OE1 GLN A 96 31.644 -2.797 -9.852 1.00 34.41 O ATOM 1589 NE2 GLN A 96 31.394 -0.592 -9.467 1.00 34.51 N ATOM 0 H GLN A 96 27.311 -2.514 -7.734 1.00 2.14 H new ATOM 0 HA GLN A 96 27.054 -1.957 -10.497 1.00 1.24 H new ATOM 0 HB2 GLN A 96 29.028 -3.109 -8.662 1.00 42.10 H new ATOM 0 HB3 GLN A 96 29.028 -3.904 -10.223 1.00 42.10 H new ATOM 0 HG2 GLN A 96 29.454 -1.854 -11.399 1.00 41.44 H new ATOM 0 HG3 GLN A 96 29.013 -0.870 -10.017 1.00 41.44 H new ATOM 0 HE21 GLN A 96 30.767 0.212 -9.493 1.00 34.51 H new ATOM 0 HE22 GLN A 96 32.355 -0.479 -9.144 1.00 34.51 H new ATOM 1598 N GLU A 97 26.224 -4.948 -9.472 1.00 20.42 N ATOM 1599 CA GLU A 97 25.570 -6.185 -9.864 1.00 34.24 C ATOM 1600 C GLU A 97 24.125 -6.204 -9.359 1.00 63.40 C ATOM 1601 O GLU A 97 23.393 -7.164 -9.598 1.00 4.32 O ATOM 1602 CB GLU A 97 26.345 -7.401 -9.353 1.00 71.33 C ATOM 1603 CG GLU A 97 27.595 -7.650 -10.200 1.00 55.05 C ATOM 1604 CD GLU A 97 28.025 -9.116 -10.126 1.00 34.42 C ATOM 1605 OE1 GLU A 97 28.921 -9.460 -9.341 1.00 71.40 O ATOM 1606 OE2 GLU A 97 27.391 -9.912 -10.920 1.00 0.51 O ATOM 0 H GLU A 97 26.402 -4.858 -8.472 1.00 20.42 H new ATOM 0 HA GLU A 97 25.555 -6.236 -10.953 1.00 34.24 H new ATOM 0 HB2 GLU A 97 26.631 -7.244 -8.313 1.00 71.33 H new ATOM 0 HB3 GLU A 97 25.704 -8.282 -9.377 1.00 71.33 H new ATOM 0 HG2 GLU A 97 27.396 -7.378 -11.237 1.00 55.05 H new ATOM 0 HG3 GLU A 97 28.407 -7.011 -9.853 1.00 55.05 H new ATOM 1614 N HIS A 98 23.758 -5.134 -8.671 1.00 4.44 N ATOM 1615 CA HIS A 98 22.415 -5.015 -8.130 1.00 73.52 C ATOM 1616 C HIS A 98 21.680 -3.869 -8.828 1.00 73.54 C ATOM 1617 O HIS A 98 20.484 -3.674 -8.618 1.00 33.44 O ATOM 1618 CB HIS A 98 22.453 -4.856 -6.609 1.00 50.11 C ATOM 1619 CG HIS A 98 22.814 -6.121 -5.868 1.00 30.12 C ATOM 1620 ND1 HIS A 98 21.949 -7.195 -5.752 1.00 53.01 N ATOM 1621 CD2 HIS A 98 23.954 -6.472 -5.207 1.00 64.43 C ATOM 1622 CE1 HIS A 98 22.551 -8.144 -5.051 1.00 2.24 C ATOM 1623 NE2 HIS A 98 23.794 -7.694 -4.713 1.00 50.15 N ATOM 0 H HIS A 98 24.368 -4.340 -8.475 1.00 4.44 H new ATOM 0 HA HIS A 98 21.858 -5.931 -8.327 1.00 73.52 H new ATOM 0 HB2 HIS A 98 23.173 -4.079 -6.353 1.00 50.11 H new ATOM 0 HB3 HIS A 98 21.478 -4.512 -6.265 1.00 50.11 H new ATOM 0 HD1 HIS A 98 21.007 -7.247 -6.141 1.00 53.01 H new ATOM 0 HD2 HIS A 98 24.837 -5.860 -5.103 1.00 64.43 H new ATOM 0 HE1 HIS A 98 22.132 -9.105 -4.792 1.00 2.24 H new ATOM 1631 N LYS A 99 22.426 -3.141 -9.646 1.00 22.25 N ATOM 1632 CA LYS A 99 21.861 -2.020 -10.376 1.00 53.31 C ATOM 1633 C LYS A 99 20.576 -2.468 -11.076 1.00 23.10 C ATOM 1634 O LYS A 99 20.507 -3.577 -11.603 1.00 20.41 O ATOM 1635 CB LYS A 99 22.900 -1.419 -11.324 1.00 64.14 C ATOM 1636 CG LYS A 99 22.225 -0.720 -12.506 1.00 43.40 C ATOM 1637 CD LYS A 99 22.208 -1.623 -13.741 1.00 13.03 C ATOM 1638 CE LYS A 99 23.627 -1.880 -14.252 1.00 55.24 C ATOM 1639 NZ LYS A 99 23.921 -1.017 -15.418 1.00 42.30 N ATOM 0 H LYS A 99 23.418 -3.306 -9.819 1.00 22.25 H new ATOM 0 HA LYS A 99 21.588 -1.218 -9.690 1.00 53.31 H new ATOM 0 HB2 LYS A 99 23.522 -0.706 -10.783 1.00 64.14 H new ATOM 0 HB3 LYS A 99 23.561 -2.205 -11.691 1.00 64.14 H new ATOM 0 HG2 LYS A 99 21.205 -0.447 -12.237 1.00 43.40 H new ATOM 0 HG3 LYS A 99 22.753 0.206 -12.735 1.00 43.40 H new ATOM 0 HD2 LYS A 99 21.729 -2.571 -13.496 1.00 13.03 H new ATOM 0 HD3 LYS A 99 21.613 -1.159 -14.527 1.00 13.03 H new ATOM 0 HE2 LYS A 99 24.347 -1.686 -13.457 1.00 55.24 H new ATOM 0 HE3 LYS A 99 23.735 -2.928 -14.531 1.00 55.24 H new ATOM 0 HZ1 LYS A 99 24.888 -1.203 -15.753 1.00 42.30 H new ATOM 0 HZ2 LYS A 99 23.245 -1.222 -16.181 1.00 42.30 H new ATOM 0 HZ3 LYS A 99 23.837 -0.018 -15.140 1.00 42.30 H new ATOM 1652 N ASP A 100 19.591 -1.583 -11.059 1.00 12.33 N ATOM 1653 CA ASP A 100 18.312 -1.873 -11.685 1.00 64.52 C ATOM 1654 C ASP A 100 18.286 -1.262 -13.088 1.00 32.24 C ATOM 1655 O ASP A 100 19.255 -0.637 -13.515 1.00 24.34 O ATOM 1656 CB ASP A 100 17.157 -1.270 -10.885 1.00 32.15 C ATOM 1657 CG ASP A 100 15.852 -2.068 -10.930 1.00 62.13 C ATOM 1658 OD1 ASP A 100 14.752 -1.497 -10.883 1.00 64.42 O ATOM 1659 OD2 ASP A 100 15.998 -3.347 -11.019 1.00 42.24 O ATOM 0 H ASP A 100 19.653 -0.664 -10.621 1.00 12.33 H new ATOM 0 HA ASP A 100 18.195 -2.956 -11.726 1.00 64.52 H new ATOM 0 HB2 ASP A 100 17.468 -1.170 -9.845 1.00 32.15 H new ATOM 0 HB3 ASP A 100 16.963 -0.264 -11.258 1.00 32.15 H new ATOM 1665 N LYS A 101 17.165 -1.464 -13.765 1.00 64.12 N ATOM 1666 CA LYS A 101 17.000 -0.941 -15.111 1.00 13.45 C ATOM 1667 C LYS A 101 16.801 0.575 -15.042 1.00 73.15 C ATOM 1668 O LYS A 101 17.034 1.280 -16.023 1.00 24.10 O ATOM 1669 CB LYS A 101 15.872 -1.677 -15.837 1.00 3.01 C ATOM 1670 CG LYS A 101 16.189 -3.168 -15.973 1.00 3.35 C ATOM 1671 CD LYS A 101 15.430 -3.785 -17.148 1.00 55.04 C ATOM 1672 CE LYS A 101 13.922 -3.791 -16.885 1.00 4.02 C ATOM 1673 NZ LYS A 101 13.174 -3.899 -18.157 1.00 42.32 N ATOM 0 H LYS A 101 16.363 -1.982 -13.407 1.00 64.12 H new ATOM 0 HA LYS A 101 17.898 -1.119 -15.703 1.00 13.45 H new ATOM 0 HB2 LYS A 101 14.938 -1.548 -15.290 1.00 3.01 H new ATOM 0 HB3 LYS A 101 15.725 -1.241 -16.825 1.00 3.01 H new ATOM 0 HG2 LYS A 101 17.261 -3.304 -16.116 1.00 3.35 H new ATOM 0 HG3 LYS A 101 15.923 -3.686 -15.051 1.00 3.35 H new ATOM 0 HD2 LYS A 101 15.642 -3.223 -18.058 1.00 55.04 H new ATOM 0 HD3 LYS A 101 15.778 -4.804 -17.315 1.00 55.04 H new ATOM 0 HE2 LYS A 101 13.664 -4.625 -16.233 1.00 4.02 H new ATOM 0 HE3 LYS A 101 13.634 -2.878 -16.364 1.00 4.02 H new ATOM 0 HZ1 LYS A 101 12.153 -3.902 -17.960 1.00 42.32 H new ATOM 0 HZ2 LYS A 101 13.407 -3.089 -18.767 1.00 42.32 H new ATOM 0 HZ3 LYS A 101 13.436 -4.782 -18.640 1.00 42.32 H new ATOM 1686 N ASP A 102 16.371 1.031 -13.875 1.00 40.33 N ATOM 1687 CA ASP A 102 16.138 2.450 -13.666 1.00 51.35 C ATOM 1688 C ASP A 102 17.416 3.099 -13.131 1.00 51.33 C ATOM 1689 O ASP A 102 17.382 4.219 -12.623 1.00 51.15 O ATOM 1690 CB ASP A 102 15.026 2.681 -12.642 1.00 33.35 C ATOM 1691 CG ASP A 102 15.162 1.876 -11.347 1.00 43.32 C ATOM 1692 OD1 ASP A 102 14.212 1.214 -10.904 1.00 25.22 O ATOM 1693 OD2 ASP A 102 16.318 1.949 -10.780 1.00 4.14 O ATOM 0 H ASP A 102 16.178 0.443 -13.064 1.00 40.33 H new ATOM 0 HA ASP A 102 15.845 2.887 -14.620 1.00 51.35 H new ATOM 0 HB2 ASP A 102 14.998 3.741 -12.392 1.00 33.35 H new ATOM 0 HB3 ASP A 102 14.070 2.437 -13.105 1.00 33.35 H new ATOM 1699 N GLY A 103 18.513 2.368 -13.263 1.00 52.24 N ATOM 1700 CA GLY A 103 19.800 2.859 -12.799 1.00 75.35 C ATOM 1701 C GLY A 103 19.903 2.769 -11.276 1.00 4.24 C ATOM 1702 O GLY A 103 20.834 2.163 -10.748 1.00 24.02 O ATOM 0 H GLY A 103 18.537 1.440 -13.685 1.00 52.24 H new ATOM 0 HA2 GLY A 103 20.601 2.279 -13.256 1.00 75.35 H new ATOM 0 HA3 GLY A 103 19.935 3.893 -13.116 1.00 75.35 H new ATOM 1706 N PHE A 104 18.934 3.382 -10.611 1.00 45.04 N ATOM 1707 CA PHE A 104 18.905 3.379 -9.159 1.00 2.23 C ATOM 1708 C PHE A 104 19.042 1.957 -8.610 1.00 54.32 C ATOM 1709 O PHE A 104 19.232 1.010 -9.372 1.00 10.15 O ATOM 1710 CB PHE A 104 17.549 3.947 -8.738 1.00 15.44 C ATOM 1711 CG PHE A 104 17.601 5.406 -8.277 1.00 34.52 C ATOM 1712 CD1 PHE A 104 17.643 6.408 -9.195 1.00 32.20 C ATOM 1713 CD2 PHE A 104 17.605 5.699 -6.949 1.00 14.22 C ATOM 1714 CE1 PHE A 104 17.691 7.761 -8.767 1.00 41.03 C ATOM 1715 CE2 PHE A 104 17.653 7.052 -6.521 1.00 51.41 C ATOM 1716 CZ PHE A 104 17.695 8.055 -7.439 1.00 60.33 C ATOM 0 H PHE A 104 18.163 3.884 -11.052 1.00 45.04 H new ATOM 0 HA PHE A 104 19.733 3.971 -8.769 1.00 2.23 H new ATOM 0 HB2 PHE A 104 16.857 3.866 -9.576 1.00 15.44 H new ATOM 0 HB3 PHE A 104 17.145 3.336 -7.931 1.00 15.44 H new ATOM 0 HD1 PHE A 104 17.640 6.175 -10.250 1.00 32.20 H new ATOM 0 HD2 PHE A 104 17.572 4.903 -6.220 1.00 14.22 H new ATOM 0 HE1 PHE A 104 17.724 8.557 -9.496 1.00 41.03 H new ATOM 0 HE2 PHE A 104 17.656 7.285 -5.466 1.00 51.41 H new ATOM 0 HZ PHE A 104 17.731 9.084 -7.114 1.00 60.33 H new ATOM 1726 N LEU A 105 18.939 1.853 -7.293 1.00 60.14 N ATOM 1727 CA LEU A 105 19.049 0.563 -6.634 1.00 74.43 C ATOM 1728 C LEU A 105 17.756 0.274 -5.869 1.00 14.43 C ATOM 1729 O LEU A 105 16.998 1.191 -5.555 1.00 41.43 O ATOM 1730 CB LEU A 105 20.304 0.512 -5.762 1.00 24.43 C ATOM 1731 CG LEU A 105 20.972 -0.858 -5.626 1.00 60.44 C ATOM 1732 CD1 LEU A 105 21.155 -1.517 -6.995 1.00 51.33 C ATOM 1733 CD2 LEU A 105 22.292 -0.752 -4.861 1.00 4.32 C ATOM 0 H LEU A 105 18.781 2.641 -6.665 1.00 60.14 H new ATOM 0 HA LEU A 105 19.169 -0.232 -7.370 1.00 74.43 H new ATOM 0 HB2 LEU A 105 21.034 1.211 -6.170 1.00 24.43 H new ATOM 0 HB3 LEU A 105 20.044 0.868 -4.765 1.00 24.43 H new ATOM 0 HG LEU A 105 20.313 -1.502 -5.043 1.00 60.44 H new ATOM 0 HD11 LEU A 105 21.632 -2.489 -6.870 1.00 51.33 H new ATOM 0 HD12 LEU A 105 20.182 -1.648 -7.469 1.00 51.33 H new ATOM 0 HD13 LEU A 105 21.782 -0.884 -7.623 1.00 51.33 H new ATOM 0 HD21 LEU A 105 22.745 -1.740 -4.779 1.00 4.32 H new ATOM 0 HD22 LEU A 105 22.969 -0.085 -5.395 1.00 4.32 H new ATOM 0 HD23 LEU A 105 22.104 -0.355 -3.863 1.00 4.32 H new ATOM 1745 N TYR A 106 17.543 -1.003 -5.590 1.00 20.23 N ATOM 1746 CA TYR A 106 16.355 -1.424 -4.867 1.00 12.32 C ATOM 1747 C TYR A 106 16.722 -2.320 -3.682 1.00 41.41 C ATOM 1748 O TYR A 106 17.000 -3.505 -3.858 1.00 55.12 O ATOM 1749 CB TYR A 106 15.520 -2.231 -5.862 1.00 75.50 C ATOM 1750 CG TYR A 106 16.349 -3.092 -6.817 1.00 5.13 C ATOM 1751 CD1 TYR A 106 17.146 -2.492 -7.770 1.00 65.04 C ATOM 1752 CD2 TYR A 106 16.301 -4.468 -6.724 1.00 62.23 C ATOM 1753 CE1 TYR A 106 17.928 -3.302 -8.669 1.00 14.10 C ATOM 1754 CE2 TYR A 106 17.082 -5.278 -7.623 1.00 23.11 C ATOM 1755 CZ TYR A 106 17.857 -4.655 -8.551 1.00 10.10 C ATOM 1756 OH TYR A 106 18.595 -5.420 -9.400 1.00 13.24 O ATOM 0 H TYR A 106 18.174 -1.761 -5.852 1.00 20.23 H new ATOM 0 HA TYR A 106 15.818 -0.560 -4.475 1.00 12.32 H new ATOM 0 HB2 TYR A 106 14.837 -2.875 -5.309 1.00 75.50 H new ATOM 0 HB3 TYR A 106 14.907 -1.545 -6.447 1.00 75.50 H new ATOM 0 HD1 TYR A 106 17.184 -1.415 -7.842 1.00 65.04 H new ATOM 0 HD2 TYR A 106 15.678 -4.937 -5.977 1.00 62.23 H new ATOM 0 HE1 TYR A 106 18.556 -2.845 -9.419 1.00 14.10 H new ATOM 0 HE2 TYR A 106 17.053 -6.356 -7.562 1.00 23.11 H new ATOM 0 HH TYR A 106 19.525 -5.112 -9.393 1.00 13.24 H new ATOM 1766 N VAL A 107 16.712 -1.719 -2.501 1.00 51.33 N ATOM 1767 CA VAL A 107 17.040 -2.447 -1.288 1.00 25.41 C ATOM 1768 C VAL A 107 15.961 -2.190 -0.235 1.00 55.32 C ATOM 1769 O VAL A 107 15.301 -1.152 -0.258 1.00 41.44 O ATOM 1770 CB VAL A 107 18.443 -2.065 -0.811 1.00 42.24 C ATOM 1771 CG1 VAL A 107 18.764 -0.610 -1.162 1.00 33.50 C ATOM 1772 CG2 VAL A 107 18.599 -2.314 0.690 1.00 21.21 C ATOM 0 H VAL A 107 16.482 -0.736 -2.359 1.00 51.33 H new ATOM 0 HA VAL A 107 17.057 -3.520 -1.481 1.00 25.41 H new ATOM 0 HB VAL A 107 19.159 -2.701 -1.332 1.00 42.24 H new ATOM 0 HG11 VAL A 107 19.767 -0.364 -0.812 1.00 33.50 H new ATOM 0 HG12 VAL A 107 18.714 -0.477 -2.243 1.00 33.50 H new ATOM 0 HG13 VAL A 107 18.040 0.048 -0.682 1.00 33.50 H new ATOM 0 HG21 VAL A 107 19.605 -2.034 1.003 1.00 21.21 H new ATOM 0 HG22 VAL A 107 17.870 -1.715 1.236 1.00 21.21 H new ATOM 0 HG23 VAL A 107 18.434 -3.370 0.903 1.00 21.21 H new ATOM 1782 N THR A 108 15.813 -3.152 0.663 1.00 22.41 N ATOM 1783 CA THR A 108 14.825 -3.043 1.722 1.00 15.33 C ATOM 1784 C THR A 108 15.405 -3.542 3.047 1.00 75.41 C ATOM 1785 O THR A 108 16.011 -4.611 3.099 1.00 31.34 O ATOM 1786 CB THR A 108 13.573 -3.804 1.281 1.00 31.13 C ATOM 1787 OG1 THR A 108 13.421 -3.456 -0.092 1.00 55.10 O ATOM 1788 CG2 THR A 108 12.300 -3.272 1.944 1.00 63.51 C ATOM 0 H THR A 108 16.362 -4.012 0.679 1.00 22.41 H new ATOM 0 HA THR A 108 14.546 -2.004 1.897 1.00 15.33 H new ATOM 0 HB THR A 108 13.690 -4.862 1.516 1.00 31.13 H new ATOM 0 HG1 THR A 108 12.472 -3.491 -0.335 1.00 55.10 H new ATOM 0 HG21 THR A 108 11.441 -3.847 1.597 1.00 63.51 H new ATOM 0 HG22 THR A 108 12.386 -3.367 3.026 1.00 63.51 H new ATOM 0 HG23 THR A 108 12.164 -2.223 1.682 1.00 63.51 H new ATOM 1796 N TYR A 109 15.198 -2.745 4.085 1.00 71.13 N ATOM 1797 CA TYR A 109 15.693 -3.093 5.406 1.00 52.01 C ATOM 1798 C TYR A 109 14.569 -3.649 6.283 1.00 3.34 C ATOM 1799 O TYR A 109 13.416 -3.243 6.152 1.00 75.24 O ATOM 1800 CB TYR A 109 16.206 -1.789 6.021 1.00 63.45 C ATOM 1801 CG TYR A 109 15.136 -0.706 6.167 1.00 34.52 C ATOM 1802 CD1 TYR A 109 14.360 -0.653 7.308 1.00 51.15 C ATOM 1803 CD2 TYR A 109 14.945 0.217 5.159 1.00 23.13 C ATOM 1804 CE1 TYR A 109 13.352 0.366 7.446 1.00 41.44 C ATOM 1805 CE2 TYR A 109 13.938 1.236 5.297 1.00 14.24 C ATOM 1806 CZ TYR A 109 13.191 1.261 6.434 1.00 72.33 C ATOM 1807 OH TYR A 109 12.239 2.223 6.564 1.00 10.32 O ATOM 0 H TYR A 109 14.694 -1.859 4.038 1.00 71.13 H new ATOM 0 HA TYR A 109 16.468 -3.856 5.337 1.00 52.01 H new ATOM 0 HB2 TYR A 109 16.627 -2.004 7.003 1.00 63.45 H new ATOM 0 HB3 TYR A 109 17.017 -1.403 5.404 1.00 63.45 H new ATOM 0 HD1 TYR A 109 14.509 -1.376 8.097 1.00 51.15 H new ATOM 0 HD2 TYR A 109 15.551 0.175 4.266 1.00 23.13 H new ATOM 0 HE1 TYR A 109 12.738 0.419 8.333 1.00 41.44 H new ATOM 0 HE2 TYR A 109 13.779 1.964 4.516 1.00 14.24 H new ATOM 0 HH TYR A 109 11.782 2.117 7.425 1.00 10.32 H new ATOM 1817 N SER A 110 14.946 -4.569 7.159 1.00 0.54 N ATOM 1818 CA SER A 110 13.985 -5.184 8.058 1.00 34.14 C ATOM 1819 C SER A 110 14.605 -5.362 9.446 1.00 71.14 C ATOM 1820 O SER A 110 15.793 -5.659 9.565 1.00 13.51 O ATOM 1821 CB SER A 110 13.506 -6.531 7.514 1.00 20.51 C ATOM 1822 OG SER A 110 13.012 -6.424 6.182 1.00 51.12 O ATOM 0 H SER A 110 15.904 -4.903 7.265 1.00 0.54 H new ATOM 0 HA SER A 110 13.120 -4.526 8.136 1.00 34.14 H new ATOM 0 HB2 SER A 110 14.329 -7.245 7.539 1.00 20.51 H new ATOM 0 HB3 SER A 110 12.722 -6.925 8.161 1.00 20.51 H new ATOM 0 HG SER A 110 13.696 -6.735 5.553 1.00 51.12 H new ATOM 1828 N GLY A 111 13.773 -5.174 10.459 1.00 11.33 N ATOM 1829 CA GLY A 111 14.225 -5.310 11.834 1.00 53.24 C ATOM 1830 C GLY A 111 14.581 -6.763 12.152 1.00 32.24 C ATOM 1831 O GLY A 111 15.119 -7.055 13.220 1.00 54.44 O ATOM 0 H GLY A 111 12.788 -4.929 10.356 1.00 11.33 H new ATOM 0 HA2 GLY A 111 15.095 -4.674 11.999 1.00 53.24 H new ATOM 0 HA3 GLY A 111 13.445 -4.966 12.513 1.00 53.24 H new ATOM 1835 N GLU A 112 14.267 -7.637 11.207 1.00 15.13 N ATOM 1836 CA GLU A 112 14.547 -9.053 11.374 1.00 13.01 C ATOM 1837 C GLU A 112 15.735 -9.465 10.503 1.00 22.12 C ATOM 1838 O GLU A 112 16.139 -8.725 9.608 1.00 43.13 O ATOM 1839 CB GLU A 112 13.312 -9.898 11.052 1.00 3.34 C ATOM 1840 CG GLU A 112 13.500 -11.343 11.518 1.00 2.12 C ATOM 1841 CD GLU A 112 14.035 -11.392 12.951 1.00 51.01 C ATOM 1842 OE1 GLU A 112 13.375 -10.896 13.876 1.00 1.12 O ATOM 1843 OE2 GLU A 112 15.179 -11.972 13.086 1.00 21.33 O ATOM 0 H GLU A 112 13.821 -7.392 10.323 1.00 15.13 H new ATOM 0 HA GLU A 112 14.807 -9.232 12.417 1.00 13.01 H new ATOM 0 HB2 GLU A 112 12.436 -9.467 11.536 1.00 3.34 H new ATOM 0 HB3 GLU A 112 13.124 -9.880 9.978 1.00 3.34 H new ATOM 0 HG2 GLU A 112 12.549 -11.873 11.463 1.00 2.12 H new ATOM 0 HG3 GLU A 112 14.191 -11.857 10.850 1.00 2.12 H new ATOM 1851 N ASN A 113 16.262 -10.645 10.796 1.00 13.04 N ATOM 1852 CA ASN A 113 17.396 -11.164 10.051 1.00 31.42 C ATOM 1853 C ASN A 113 16.904 -12.199 9.037 1.00 13.11 C ATOM 1854 O ASN A 113 17.270 -13.371 9.112 1.00 4.44 O ATOM 1855 CB ASN A 113 18.397 -11.853 10.981 1.00 40.11 C ATOM 1856 CG ASN A 113 19.703 -12.162 10.247 1.00 25.42 C ATOM 1857 OD1 ASN A 113 19.718 -12.705 9.154 1.00 5.34 O ATOM 1858 ND2 ASN A 113 20.796 -11.789 10.907 1.00 0.30 N ATOM 0 H ASN A 113 15.924 -11.256 11.539 1.00 13.04 H new ATOM 0 HA ASN A 113 17.884 -10.326 9.552 1.00 31.42 H new ATOM 0 HB2 ASN A 113 18.601 -11.214 11.840 1.00 40.11 H new ATOM 0 HB3 ASN A 113 17.965 -12.776 11.366 1.00 40.11 H new ATOM 0 HD21 ASN A 113 21.717 -11.953 10.501 1.00 0.30 H new ATOM 0 HD22 ASN A 113 20.713 -11.339 11.819 1.00 0.30 H new ATOM 1865 N THR A 114 16.081 -11.728 8.112 1.00 75.22 N ATOM 1866 CA THR A 114 15.534 -12.598 7.084 1.00 43.22 C ATOM 1867 C THR A 114 15.933 -12.097 5.694 1.00 13.43 C ATOM 1868 O THR A 114 16.632 -11.092 5.570 1.00 73.34 O ATOM 1869 CB THR A 114 14.020 -12.680 7.289 1.00 4.33 C ATOM 1870 OG1 THR A 114 13.562 -11.356 7.027 1.00 24.13 O ATOM 1871 CG2 THR A 114 13.640 -12.923 8.751 1.00 22.02 C ATOM 0 H THR A 114 15.779 -10.755 8.053 1.00 75.22 H new ATOM 0 HA THR A 114 15.941 -13.606 7.161 1.00 43.22 H new ATOM 0 HB THR A 114 13.613 -13.479 6.670 1.00 4.33 H new ATOM 0 HG1 THR A 114 12.589 -11.319 7.135 1.00 24.13 H new ATOM 0 HG21 THR A 114 12.555 -12.973 8.841 1.00 22.02 H new ATOM 0 HG22 THR A 114 14.076 -13.863 9.089 1.00 22.02 H new ATOM 0 HG23 THR A 114 14.018 -12.106 9.366 1.00 22.02 H new